ROHS PBDE Calibration Solution [CS3]
Product Code
CIL-EO-5402-CS3
CAS Number
39 AnalytesProduct Format
Mixture
Product Categories
Flame Retardant Reference Materials and Research Chemicals, Cambridge Isotope Laboratories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
39 AnalytesShare product
- Product Name: ROHS PBDE Calibration Solution [CS3]
- Product Code: CIL-EO-5402-CS3
- Brand: CIL
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
{{ analyteItem.analyteName || '-' }}
{{ analyteItem.measuredValue1 || '-' }} {{ analyteItem.measuredUnit1 || '' }}
2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl Ether 13C12
500.0 ng/mL
2,2',3,4,4',5',6-Heptabromodiphenyl Ether 13C12
200.0 ng/mL
2,2',3,4,4',5'-Hexabromodiphenyl ether 13C12
100.0 ng/mL
2,2',3,4,4',5,6,6'-Octabromodiphenyl Ether 13C12
200.0 ng/mL
-
2,2',4,4',5,5'-Hexabromodiphenyl Ether 13C12
100.0 ng/mL
2,2',4,4',5,6'-Hexabromodiphenyl Ether 13C12
200.0 ng/mL
2,2',4,4',5-Pentabromodiphenyl Ether 13C12
100.0 ng/mL
2,2',4,4'-Tetrabromodiphenyl Ether 13C12
100.0 ng/mL
2,4,4'-Tribromodiphenyl Ether 13C12
100.0 ng/mL
4-Bromodiphenyl Ether 13C12
100.0 ng/mL
Decabromodiphenyl Ether 13C12
500.0 ng/mL
PBDE 100 (2,2',4,4',6-Pentabromodiphenyl Ether)
20.0 ng/mL
PBDE 119 (2,3',4,4',6-Pentabromodiphenyl Ether)
20.0 ng/mL
PBDE 126 (3,3',4,4',5-Pentabromodiphenyl Ether)
20.0 ng/mL
PBDE 138 (2,2',3,4,4',5'-Hexabromodiphenyl Ether)
40.0 ng/mL
PBDE 15 (4,4'-Dibromodiphenyl Ether)
20.0 ng/mL
PBDE 153 (2,2',4,4',5,5'-Hexabromodiphenyl Ether)
40.0 ng/mL
PBDE 154 (2,2',4,4',5,6'-Hexabromodiphenyl Ether)
40.0 ng/mL
PBDE 155 (2,2',4,4',6,6'-Hexabromodiphenyl Ether)
40.0 ng/mL
PBDE 166 (2,3,4,4',5,6-Hexabromodiphenyl Ether)
40.0 ng/mL
PBDE 17 (2,2',4-Tribromodiphenyl Ether)
20.0 ng/mL
PBDE 181 (2,2',3,4,4',5,6-Heptabromodiphenyl Ether)
40.0 ng/mL
PBDE 183 (2,2',3,4,4',5',6-Heptabromodiphenyl Ether)
40.0 ng/mL
PBDE 190 (2,3,3',4,4',5,6-Heptabromodiphenyl Ether)
40.0 ng/mL
PBDE 203 (2,2',3,4,4',5,5',6-Octabromodiphenyl Ether)
40.0 ng/mL
PBDE 205 (2,3,3',4,4',5,5',6-Octabromodiphenyl Ether)
40.0 ng/mL
PBDE 206 (2,2',3,3',4,4',5,5',6-Nonabromodiphenyl Ether)
100.0 ng/mL
PBDE 207 (2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl Ether)
100.0 ng/mL
PBDE 209 (2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl Ether)
100.0 ng/mL
PBDE 28 (2,4,4'-Tribromodiphenyl Ether)
20.0 ng/mL
PBDE 47 (2,2',4,4'-Tetrabromodiphenyl Ether)
20.0 ng/mL
PBDE 49 (2,2',4,5'-Tetrabromodiphenyl Ether)
20.0 ng/mL
PBDE 66 (2,3',4,4'-Tetrabromodiphenyl Ether)
20.0 ng/mL
PBDE 7 (2,4-Dibromodiphenyl Ether)
20.0 ng/mL
PBDE 71 (2,3',4',6-Tetrabromodiphenyl Ether)
20.0 ng/mL
PBDE 77 (3,3',4,4'-Tetrabromodiphenyl Ether)
20.0 ng/mL
PBDE 85 (2,2',3,4,4'-Pentabromodiphenyl Ether)
20.0 ng/mL
PBDE 99 (2,2',4,4',5-Pentabromodiphenyl Ether)
20.0 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
{{ analyteItem.inchi[0].name }}
IUPAC
{{ analyteItem.iupac }}
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',3,4,4',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'-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][13cH][13c](Br)[13c](Br)[13c]2Br)[13cH][13c]1Br
InChI
InChI=1S/C12H4Br6O/c13-5-1-2-9(12(18)11(5)17)19-10-4-7(15)6(14)3-8(10)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
1,2,3-tribromo-4-(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',3,4,4',5,6,6'-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)[13c](Br)[13c](Br)[13c](Br)[13c]2Br)[13c](Br)[13cH]1
InChI
InChI=1S/C12H2Br8O/c13-3-1-4(14)11(5(15)2-3)21-12-9(19)7(17)6(16)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
1,2,3,4,5-pentabromo-6-(2,4,6-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',5,5'-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'-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
4-Bromodiphenyl Ether 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H9 Br O
Molecular Weight
261.02
Accurate Mass
260.0239
SMILES
Br[13c]1[13cH][13cH][13c](O[13c]2[13cH][13cH][13cH][13cH][13cH]2)[13cH][13cH]1
InChI
InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H/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-bromo-4-((1,2,3,4,5,6-^{13}C_{6})cyclohexatrienyloxy)(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
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 119 (2,3',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
Brc1cc(Br)c(Oc2ccc(Br)c(Br)c2)c(Br)c1
InChI
InChI=1S/C12H5Br5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5H
IUPAC
1,3,5-tribromo-2-(3,4-dibromophenoxy)benzene
PBDE 126 (3,3',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)c(Br)c2)cc1Br
InChI
InChI=1S/C12H5Br5O/c13-8-2-1-6(3-9(8)14)18-7-4-10(15)12(17)11(16)5-7/h1-5H
IUPAC
1,2,3-tribromo-5-(3,4-dibromophenoxy)benzene
PBDE 138 (2,2',3,4,4',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(Oc2ccc(Br)c(Br)c2Br)cc1Br
InChI
InChI=1S/C12H4Br6O/c13-5-1-2-9(12(18)11(5)17)19-10-4-7(15)6(14)3-8(10)16/h1-4H
IUPAC
1,2,3-tribromo-4-(2,4,5-tribromophenoxy)benzene
PBDE 15 (4,4'-Dibromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Br2 O
Molecular Weight
328.00
Accurate Mass
325.8942
SMILES
Brc1ccc(Oc2ccc(Br)cc2)cc1
InChI
InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
IUPAC
1-bromo-4-(4-bromophenoxy)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 155 (2,2',4,4',6,6'-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(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
InChI
InChI=1S/C12H4Br6O/c13-5-1-7(15)11(8(16)2-5)19-12-9(17)3-6(14)4-10(12)18/h1-4H
IUPAC
1,3,5-tribromo-2-(2,4,6-tribromophenoxy)benzene
PBDE 166 (2,3,4,4',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
Brc1ccc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc1
InChI
InChI=1S/C12H4Br6O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
IUPAC
1,2,3,4,5-pentabromo-6-(4-bromophenoxy)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 181 (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
Brc1ccc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1
InChI
InChI=1S/C12H3Br7O/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H
IUPAC
1,2,3,4,5-pentabromo-6-(2,4-dibromophenoxy)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 190 (2,3,3',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
Brc1ccc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc1Br
InChI
InChI=1S/C12H3Br7O/c13-5-2-1-4(3-6(5)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H
IUPAC
1,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)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 205 (2,3,3',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(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc(Br)c1Br
InChI
InChI=1S/C12H2Br8O/c13-4-1-3(2-5(14)6(4)15)21-12-10(19)8(17)7(16)9(18)11(12)20/h1-2H
IUPAC
1,2,3,4,5-pentabromo-6-(3,4,5-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 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 3 (4-Bromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 Br O
Molecular Weight
249.10
Accurate Mass
247.9837
SMILES
Brc1ccc(Oc2ccccc2)cc1
InChI
InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
IUPAC
1-bromo-4-phenoxybenzene
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 49 (2,2',4,5'-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(Oc2cc(Br)ccc2Br)c(Br)c1
InChI
InChI=1S/C12H6Br4O/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H
IUPAC
1,4-dibromo-2-(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 7 (2,4-Dibromodiphenyl Ether)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Br2 O
Molecular Weight
328.00
Accurate Mass
325.8942
SMILES
Brc1ccc(Oc2ccccc2)c(Br)c1
InChI
InChI=1S/C12H8Br2O/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H
IUPAC
2,4-dibromo-1-phenoxybenzene
PBDE 71 (2,3',4',6-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(Oc2c(Br)cccc2Br)cc1Br
InChI
InChI=1S/C12H6Br4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H
IUPAC
1,2-dibromo-4-(2,6-dibromophenoxy)benzene
PBDE 77 (3,3',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)cc1Br
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
IUPAC
1,2-dibromo-4-(3,4-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
Country of Origin
UNITED STATES
Product Type
Stable Isotope Labelled
Product Format
Mixture
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