CDC BFR Multi-Analyte Calibration Solution [CS1]
Product Code
CIL-EO-5319-A-CS1
CAS Number
43 AnalytesProduct Format
Mixture
Product Categories
Product Type
Stable Isotope LabelledShare product
- Product Name: CDC BFR Multi-Analyte Calibration Solution [CS1]
- Product Code: CIL-EO-5319-A-CS1
- Brand: CIL
Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
{{ analyteItem.analyteName || '-' }}
{{ analyteItem.measuredValue1 || '-' }} {{ analyteItem.measuredUnit1 || '' }}
1,2,3,4-Tetrachlorodibenzo-p-dioxin 13C12
25 ng/mL
1,2-Bis(2,4,6-tribromophenoxy)ethane
0.2 ng/mL
1,2-Bis(2,4,6-tribromophenoxy)ethane 13C12
75 ng/mL
-
2,2',3,3',4,4',5,5',6-Nonabromodiphenyl Ether 13C12
75 ng/mL
-
2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl Ether 13C12
75 ng/mL
2,2',3,3',4,4',6,6'-Octabromodiphenyl ether 13C12
75 ng/mL
2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl 13C12
100 ng/mL
2,2',3,4,4',5',6-Heptabromodiphenyl Ether 13C12
75 ng/mL
2,2',3,4,4',5,5',6-Octabromodiphenyl Ether 13C12
75 ng/mL
-
2,2',3,4,4',6-Hexabromodiphenyl ether 13C12
75 ng/mL
2,2',4,4',5,5'-Hexabromobiphenyl
0.2 ng/mL
2,2',4,4',5,5'-Hexabromobiphenyl-13C12
75 ng/mL
2,2',4,4',5,5'-Hexabromodiphenyl Ether 13C12
75 ng/mL
2,2',4,4',5,6'-Hexabromodiphenyl Ether 13C12
75 ng/mL
2,2',4,4',5-Pentabromodiphenyl Ether 13C12
75 ng/mL
2,2',4,4',6-Pentabromodiphenyl ether 13C12
75 ng/mL
2,2',4,4'-Tetrabromodiphenyl Ether 13C12
75 ng/mL
2,4,4'-Tribromodiphenyl Ether 13C12
75 ng/mL
3,3',4,4'-Tetrabromodiphenyl Ether 13C12
75 ng/mL
gamma-Hexabromocyclododecane 13C12
75 ng/mL
PBDE 100 (2,2',4,4',6-Pentabromodiphenyl Ether)
0.2 ng/mL
PBDE 153 (2,2',4,4',5,5'-Hexabromodiphenyl Ether)
0.2 ng/mL
PBDE 154 (2,2',4,4',5,6'-Hexabromodiphenyl Ether)
0.2 ng/mL
PBDE 17 (2,2',4-Tribromodiphenyl Ether)
0.2 ng/mL
PBDE 183 (2,2',3,4,4',5',6-Heptabromodiphenyl Ether)
0.2 ng/mL
PBDE 196 (2,2',3,3',4,4',5,6'-Octabromodiphenyl Ether)
0.2 ng/mL
PBDE 197 (2,2',3,3',4,4',6,6'-Octabromodiphenyl Ether)
0.2 ng/mL
PBDE 203 (2,2',3,4,4',5,5',6-Octabromodiphenyl Ether)
0.2 ng/mL
PBDE 206 (2,2',3,3',4,4',5,5',6-Nonabromodiphenyl Ether)
0.2 ng/mL
PBDE 207 (2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl Ether)
0.2 ng/mL
PBDE 209 (2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl Ether)
0.2 ng/mL
PBDE 28 (2,4,4'-Tribromodiphenyl Ether)
0.2 ng/mL
PBDE 47 (2,2',4,4'-Tetrabromodiphenyl Ether)
0.2 ng/mL
PBDE 66 (2,3',4,4'-Tetrabromodiphenyl Ether)
0.2 ng/mL
PBDE 85 (2,2',3,4,4'-Pentabromodiphenyl Ether)
0.2 ng/mL
PBDE 99 (2,2',4,4',5-Pentabromodiphenyl Ether)
0.2 ng/mL
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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1,2,3,4-Tetrachlorodibenzo-p-dioxin 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H4 Cl4 O2
Molecular Weight
333.88
Accurate Mass
331.9368
SMILES
Cl[13c]1[13c](Cl)[13c](Cl)[13c]2O[13c]3[13cH][13cH][13cH][13cH][13c]3O[13c]2[13c]1Cl
InChI
InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,4-tetrachlorodibenzo-p-dioxin
1,2-Bis(2,4,6-tribromophenoxy)ethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H8 Br6 O2
Molecular Weight
687.64
Accurate Mass
681.5625
SMILES
Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1
InChI
InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
IUPAC
1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene
1,2-Bis(2,4,6-tribromophenoxy)ethane 13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 C2 H8 Br6 O2
Molecular Weight
699.55
Accurate Mass
693.6027
SMILES
Br[13c]1[13cH][13c](Br)[13c](OCCO[13c]2[13c](Br)[13cH][13c](Br)[13cH][13c]2Br)[13c](Br)[13cH]1
InChI
InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1
IUPAC
1,3,5-tribromo-2-[2-(2,4,6-tribromo(13C6)cyclohexa-1,3,5-trien-1-yl)oxyethoxy](13C6)cyclohexa-1,3,5-triene
1,2-Bis(pentabromophenyl)ethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H4 Br10
Molecular Weight
971.22
Accurate Mass
961.2147
SMILES
Brc1c(Br)c(Br)c(CCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChI
InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
IUPAC
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene
1,2-Bis(pentabromophenyl)ethane 13C14
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C14 H4 Br10
Molecular Weight
985.12
Accurate Mass
975.2616
SMILES
Br[13c]1[13c](Br)[13c](Br)[13c]([13CH2][13CH2][13c]2[13c](Br)[13c](Br)[13c](Br)[13c](Br)[13c]2Br)[13c](Br)[13c]1Br
InChI
InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1
IUPAC
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromo(13C6)cyclohexa-1,3,5-trien-1-yl)(13C2)ethyl](13C)cyclohexa-1,3,5-triene
2,2',3,3',4,4',5,5',6-Nonabromodiphenyl Ether 13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H Br9 O
Molecular Weight
892.18
Accurate Mass
883.308
SMILES
Br[13c]1[13cH][13c](O[13c]2[13c](Br)[13c](Br)[13c](Br)[13c](Br)[13c]2Br)[13c](Br)[13c](Br)[13c]1Br
InChI
InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H Br9 O
Molecular Weight
892.18
Accurate Mass
883.308
SMILES
Br[13c]1[13cH][13c](Br)[13c](O[13c]2[13c](Br)[13c](Br)[13c](Br)[13c](Br)[13c]2Br)[13c](Br)[13c]1Br
InChI
InChI=1S/C12HBr9O/c13-2-1-3(14)11(8(19)4(2)15)22-12-9(20)6(17)5(16)7(18)10(12)21/h1H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,4,6-tetrabromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',3,3',4,4',6,6'-Octabromodiphenyl ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H2 Br8 O
Molecular Weight
813.29
Accurate Mass
805.3975
SMILES
Br[13c]1[13cH][13c](Br)[13c](O[13c]2[13c](Br)[13cH][13c](Br)[13c](Br)[13c]2Br)[13c](Br)[13c]1Br
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(15)11(9(19)7(3)17)21-12-6(16)2-4(14)8(18)10(12)20/h1-2H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,5-tetrabromo-4-(2,3,4,6-tetrabromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H Cl9
Molecular Weight
476.13
Accurate Mass
471.7678
SMILES
Cl[13c]1[13cH][13c](Cl)[13c](Cl)[13c]([13c]1Cl)[13c]2[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12HCl9/c13-2-1-3(14)7(16)4(6(2)15)5-8(17)10(19)12(21)11(20)9(5)18/h1H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,4,5-pentachloro-6-(2,3,5,6-tetrachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',3,4,4',5',6-Heptabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H3 Br7 O
Molecular Weight
734.39
Accurate Mass
727.487
SMILES
Br[13c]1[13cH][13c](Br)[13c](O[13c]2[13c](Br)[13cH][13c](Br)[13c](Br)[13c]2Br)[13cH][13c]1Br
InChI
InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,5-tetrabromo-4-(3,4,6-tribromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',3,4,4',5,5',6-Octabromodiphenyl Ether 13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H2 Br8 O
Molecular Weight
813.29
Accurate Mass
805.3975
SMILES
Br[13c]1[13cH][13c](Br)[13c](O[13c]2[13c](Br)[13c](Br)[13c](Br)[13c](Br)[13c]2Br)[13cH][13c]1Br
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(15)6(2-4(3)14)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,4,5-pentabromo-6-(3,4,6-tribromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',3,4,4',6-Hexabromodiphenyl ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H4 Br6 O
Molecular Weight
655.50
Accurate Mass
649.5765
SMILES
Br[13c]1[13cH][13cH][13c](O[13c]2[13c](Br)[13cH][13c](Br)[13c](Br)[13c]2Br)[13c](Br)[13cH]1
InChI
InChI=1S/C12H4Br6O/c13-5-1-2-9(6(14)3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,5-tetrabromo-4-(4,6-dibromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',4,4',5,5'-Hexabromobiphenyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Br6
Molecular Weight
627.58
Accurate Mass
621.5413
SMILES
Brc1cc(Br)c(cc1Br)c2cc(Br)c(Br)cc2Br
InChI
InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
IUPAC
1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene
2,2',4,4',5,5'-Hexabromobiphenyl-13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H4 Br6
Molecular Weight
639.50
Accurate Mass
633.5816
SMILES
Br[13c]1[13cH][13c](Br)[13c]([13cH][13c]1Br)[13c]2[13cH][13c](Br)[13c](Br)[13cH][13c]2Br
InChI
InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,4-tribromo-5-(3,4,6-tribromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',4,4',5,5'-Hexabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H4 Br6 O
Molecular Weight
655.50
Accurate Mass
649.5765
SMILES
Br[13c]1[13cH][13c](Br)[13c](O[13c]2[13cH][13c](Br)[13c](Br)[13cH][13c]2Br)[13cH][13c]1Br
InChI
InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,4-tribromo-5-(3,4,6-tribromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',4,4',5,6'-Hexabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H4 Br6 O
Molecular Weight
655.50
Accurate Mass
649.5765
SMILES
Br[13c]1[13cH][13c](Br)[13c](O[13c]2[13cH][13c](Br)[13c](Br)[13cH][13c]2Br)[13c](Br)[13cH]1
InChI
InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,3,5-tribromo-2-(2,4,5-tribromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',4,4',5-Pentabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H5 Br5 O
Molecular Weight
576.60
Accurate Mass
571.666
SMILES
Br[13c]1[13cH][13cH][13c](O[13c]2[13cH][13c](Br)[13c](Br)[13cH][13c]2Br)[13c](Br)[13cH]1
InChI
InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,4,5-tribromo-2-(4,6-dibromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',4,4',6-Pentabromodiphenyl ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H5 Br5 O
Molecular Weight
576.60
Accurate Mass
571.666
SMILES
Br[13c]1[13cH][13cH][13c](O[13c]2[13c](Br)[13cH][13c](Br)[13cH][13c]2Br)[13c](Br)[13cH]1
InChI
InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,3,5-tribromo-2-(4,6-dibromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,2',4,4'-Tetrabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H6 Br4 O
Molecular Weight
497.70
Accurate Mass
493.7555
SMILES
Br[13c]1[13cH][13cH][13c](O[13c]2[13cH][13cH][13c](Br)[13cH][13c]2Br)[13c](Br)[13cH]1
InChI
InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,3-dibromo-6-(4,6-dibromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,4,4'-Tribromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H7 Br3 O
Molecular Weight
418.81
Accurate Mass
415.845
SMILES
Br[13c]1[13cH][13cH][13c](O[13c]2[13cH][13cH][13c](Br)[13cH][13c]2Br)[13cH][13cH]1
InChI
InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
2,4-dibromo-1-(4-bromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
3,3',4,4'-Tetrabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H6 Br4 O
Molecular Weight
497.70
Accurate Mass
493.7555
SMILES
Br[13c]1[13cH][13cH][13c](O[13c]2[13cH][13cH][13c](Br)[13c](Br)[13cH]2)[13cH][13c]1Br
InChI
InChI=1S/C12H6Br4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2-dibromo-4-(4,5-dibromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
Decabromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 Br10 O
Molecular Weight
971.08
Accurate Mass
961.2185
SMILES
Br[13c]1[13c](Br)[13c](Br)[13c](O[13c]2[13c](Br)[13c](Br)[13c](Br)[13c](Br)[13c]2Br)[13c](Br)[13c]1Br
InChI
InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)oxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
gamma-Hexabromocyclododecane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H18 Br6
Molecular Weight
641.70
Accurate Mass
635.6509
SMILES
Br[C@@H]1CC[C@@H](Br)[C@@H](Br)CC[C@H](Br)[C@H](Br)CC[C@H]1Br
InChI
InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/m1/s1
IUPAC
(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane
gamma-Hexabromocyclododecane 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H18 Br6
Molecular Weight
653.61
Accurate Mass
647.6911
SMILES
Br[13C@@H]1[13CH2][13CH2][13C@@H](Br)[13C@@H](Br)[13CH2][13CH2][13C@H](Br)[13C@H](Br)[13CH2][13CH2][13C@H]1Br
InChI
InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
(1R,2S,5S,6R,9R,10R)-1,2,5,6,9,10-hexabromo(1,2,3,4,5,6,7,8,9,10,11,12-^{13}C_{12})cyclododecane
Hexabromobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 Br6
Molecular Weight
551.49
Accurate Mass
545.51
SMILES
Brc1c(Br)c(Br)c(Br)c(Br)c1Br
InChI
InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
IUPAC
1,2,3,4,5,6-hexabromobenzene
Hexabromobenzene-13C6
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C6 Br6
Molecular Weight
557.44
Accurate Mass
551.5302
SMILES
Br[13c]1[13c](Br)[13c](Br)[13c](Br)[13c](Br)[13c]1Br
InChI
InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC
1,2,3,4,5,6-hexabromo(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
PBDE 100 (2,2',4,4',6-Pentabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Br5 O
Molecular Weight
564.69
Accurate Mass
559.6257
SMILES
Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
InChI
InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
IUPAC
1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene
PBDE 153 (2,2',4,4',5,5'-Hexabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Br6 O
Molecular Weight
643.58
Accurate Mass
637.5362
SMILES
Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br
InChI
InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
IUPAC
1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene
PBDE 154 (2,2',4,4',5,6'-Hexabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Br6 O
Molecular Weight
643.58
Accurate Mass
637.5362
SMILES
Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1
InChI
InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H
IUPAC
1,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene
PBDE 17 (2,2',4-Tribromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H7 Br3 O
Molecular Weight
406.90
Accurate Mass
403.8047
SMILES
Brc1ccc(Oc2ccccc2Br)c(Br)c1
InChI
InChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H
IUPAC
2,4-dibromo-1-(2-bromophenoxy)benzene
PBDE 183 (2,2',3,4,4',5',6-Heptabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Br7 O
Molecular Weight
722.48
Accurate Mass
715.4468
SMILES
Brc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br
InChI
InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H
IUPAC
1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene
PBDE 196 (2,2',3,3',4,4',5,6'-Octabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Br8 O
Molecular Weight
801.38
Accurate Mass
793.3573
SMILES
Brc1cc(Br)c(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(15)12(11(20)8(3)17)21-6-2-4(14)7(16)10(19)9(6)18/h1-2H
IUPAC
1,2,3,4-tetrabromo-5-(2,3,4,6-tetrabromophenoxy)benzene
PBDE 197 (2,2',3,3',4,4',6,6'-Octabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Br8 O
Molecular Weight
801.38
Accurate Mass
793.3573
SMILES
Brc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)c(Br)c1Br
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(15)11(9(19)7(3)17)21-12-6(16)2-4(14)8(18)10(12)20/h1-2H
IUPAC
1,2,3,5-tetrabromo-4-(2,3,4,6-tetrabromophenoxy)benzene
PBDE 203 (2,2',3,4,4',5,5',6-Octabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Br8 O
Molecular Weight
801.38
Accurate Mass
793.3573
SMILES
Brc1cc(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc1Br
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(15)6(2-4(3)14)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2H
IUPAC
1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)benzene
PBDE 206 (2,2',3,3',4,4',5,5',6-Nonabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H Br9 O
Molecular Weight
880.27
Accurate Mass
871.2678
SMILES
Brc1cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br
InChI
InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
PBDE 207 (2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H Br9 O
Molecular Weight
880.27
Accurate Mass
871.2678
SMILES
Brc1cc(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChI
InChI=1S/C12HBr9O/c13-2-1-3(14)11(8(19)4(2)15)22-12-9(20)6(17)5(16)7(18)10(12)21/h1H
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,4,6-tetrabromophenoxy)benzene
PBDE 208
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H Br9 O
Molecular Weight
880.27
Accurate Mass
871.2678
SMILES
Brc1cc(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c1Br
InChI
InChI=1S/C12HBr9O/c13-2-1-3(14)5(16)11(4(2)15)22-12-9(20)7(18)6(17)8(19)10(12)21/h1H
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,5,6-tetrabromophenoxy)benzene
PBDE 209 (2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 Br10 O
Molecular Weight
959.17
Accurate Mass
949.1783
SMILES
Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChI
InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene
PBDE 28 (2,4,4'-Tribromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H7 Br3 O
Molecular Weight
406.90
Accurate Mass
403.8047
SMILES
Brc1ccc(Oc2ccc(Br)cc2Br)cc1
InChI
InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H
IUPAC
2,4-dibromo-1-(4-bromophenoxy)benzene
PBDE 47 (2,2',4,4'-Tetrabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Br4 O
Molecular Weight
485.79
Accurate Mass
481.7152
SMILES
Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
InChI
InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
IUPAC
2,4-dibromo-1-(2,4-dibromophenoxy)benzene
PBDE 66 (2,3',4,4'-Tetrabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Br4 O
Molecular Weight
485.79
Accurate Mass
481.7152
SMILES
Brc1ccc(Oc2ccc(Br)c(Br)c2)c(Br)c1
InChI
InChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H
IUPAC
1,2-dibromo-4-(2,4-dibromophenoxy)benzene
PBDE 85 (2,2',3,4,4'-Pentabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Br5 O
Molecular Weight
564.69
Accurate Mass
559.6257
SMILES
Brc1ccc(Oc2ccc(Br)c(Br)c2Br)c(Br)c1
InChI
InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H
IUPAC
1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene
PBDE 99 (2,2',4,4',5-Pentabromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Br5 O
Molecular Weight
564.69
Accurate Mass
559.6257
SMILES
Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1
InChI
InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
IUPAC
1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene
Product Data
Storage Temperature
Room Temperature
Shipping Temperature
No freezing
Country of Origin
UNITED STATES
Product Type
Stable Isotope Labelled
Product Format
Mixture
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