JECS PCB/POPs/PBDE Native
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- structure.search.product.name JECS PCB/POPs/PBDE Native
- Product Code: CIL-ES-5623-B
- Brand: CIL
Product Overview
Product Code
CIL-ES-5623-B
CAS Number
31 AnalytesProduct Format
Mixture
Matrix
Methanol
Product Categories
Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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PBDE 153 (2,2',4,4',5,5'-Hexabromodiphenyl Ether)
50 ng/mL
PBDE 47 (2,2',4,4'-Tetrabromodiphenyl Ether)
50 ng/mL
PBDE 99 (2,2',4,4',5-Pentabromodiphenyl Ether)
50 ng/mL
PCB 99 (2,2',4,4',5-Pentachlorobiphenyl)
10 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
{{ analyteProduct.meltingPoint }}
Appearance/Form
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SMILES
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InChI
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IUPAC
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2,2,4-Trimethylpentane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H18
Molecular Weight
114.23
Accurate Mass
114.1409
SMILES
CC(C)CC(C)(C)C
InChI
InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
IUPAC
2,2,4-trimethylpentane
4,4'-DDE
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H8 Cl4
Molecular Weight
318.03
Accurate Mass
315.938
SMILES
ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl
InChI
InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
IUPAC
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
4,4'-DDT
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 Cl5
Molecular Weight
354.49
Accurate Mass
351.9147
SMILES
Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
IUPAC
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
beta-HCH
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 Cl6
Molecular Weight
290.83
Accurate Mass
287.8601
SMILES
Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-
IUPAC
1,2,3,4,5,6-hexachlorocyclohexane
cis-Nonachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H5 Cl9
Molecular Weight
444.22
Accurate Mass
439.7588
SMILES
Cl[C@H]1[C@@H](Cl)C2C([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1?,2?,3-,4+,5-,8+,9-
IUPAC
(1S,3R,5S,7R)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene
Hexachlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 Cl6
Molecular Weight
284.78
Accurate Mass
281.8131
SMILES
Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
IUPAC
1,2,3,4,5,6-hexachlorobenzene
n-Nonane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H20
Molecular Weight
128.26
Accurate Mass
128.1565
SMILES
CCCCCCCCC
InChI
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
IUPAC
nonane
oxy-Chlordane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H4 Cl8 O
Molecular Weight
423.76
Accurate Mass
419.777
SMILES
Cl[C@@H]1[C@@H]2[C@H]([C@@H]3O[C@]13Cl)[C@]4(Cl)C(=C(Cl)[C@@]2(Cl)C4(Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m0/s1
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 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 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
PCB 199
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Cl8
Molecular Weight
429.77
Accurate Mass
425.7665
SMILES
Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl
InChI
InChI=1S/C12H2Cl8/c13-4-1-3(8(16)12(20)11(4)19)7-9(17)5(14)2-6(15)10(7)18/h1-2H
IUPAC
1,2,3,4-tetrachloro-5-(2,3,5,6-tetrachlorophenyl)benzene
PCB 99 (2,2',4,4',5-Pentachlorobiphenyl)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H5Cl5/c13-6-1-2-7(9(14)3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
IUPAC
1,2,4-trichloro-5-(2,4-dichlorophenyl)benzene
PCB No. 101
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
IUPAC
1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
PCB No. 105
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H
IUPAC
1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene
PCB No. 118
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
IUPAC
1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene
PCB No. 138
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1cc(Cl)c(cc1Cl)c2ccc(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H
IUPAC
1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene
PCB No. 146
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H4Cl6/c13-5-1-7(12(18)11(17)2-5)6-3-9(15)10(16)4-8(6)14/h1-4H
IUPAC
1,2,4-trichloro-5-(2,3,5-trichlorophenyl)benzene
PCB No. 153
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H4Cl6/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-trichloro-5-(2,4,5-trichlorophenyl)benzene
PCB No. 156
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H
IUPAC
1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
PCB No. 170
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Cl7
Molecular Weight
395.32
Accurate Mass
391.8054
SMILES
Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H
IUPAC
1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene
PCB No. 180
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Cl7
Molecular Weight
395.32
Accurate Mass
391.8054
SMILES
Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H
IUPAC
1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene
PCB No. 183
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Cl7
Molecular Weight
395.32
Accurate Mass
391.8054
SMILES
Clc1cc(Cl)c(cc1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H
IUPAC
1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene
PCB No. 187
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Cl7
Molecular Weight
395.32
Accurate Mass
391.8054
SMILES
Clc1cc(Cl)c(cc1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H
IUPAC
1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene
PCB No. 194
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Cl8
Molecular Weight
429.77
Accurate Mass
425.7665
SMILES
Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H
IUPAC
1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene
PCB No. 199
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Cl8
Molecular Weight
429.77
Accurate Mass
429.7683
PCB No. 203
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Cl8
Molecular Weight
429.77
Accurate Mass
425.7665
SMILES
Clc1cc(Cl)c(cc1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H2Cl8/c13-4-2-6(15)5(14)1-3(4)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H
IUPAC
1,2,3,4,5-pentachloro-6-(2,4,5-trichlorophenyl)benzene
PCB No. 28
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H7 Cl3
Molecular Weight
257.54
Accurate Mass
255.9613
SMILES
Clc1ccc(cc1)c2ccc(Cl)cc2Cl
InChI
InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
IUPAC
2,4-dichloro-1-(4-chlorophenyl)benzene
PCB No. 52
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Cl4
Molecular Weight
291.99
Accurate Mass
289.9224
SMILES
Clc1ccc(Cl)c(c1)c2cc(Cl)ccc2Cl
InChI
InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
IUPAC
1,4-dichloro-2-(2,5-dichlorophenyl)benzene
PCB No. 74
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Cl4
Molecular Weight
291.99
Accurate Mass
289.9224
SMILES
Clc1ccc(cc1)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H
IUPAC
1,2,4-trichloro-5-(4-chlorophenyl)benzene
trans-Nonachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H5 Cl9
Molecular Weight
444.22
Accurate Mass
439.7588
SMILES
Cl[C@@H]1[C@@H](Cl)C2C([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1?,2?,3-,4+,5+,8+,9-
IUPAC
(1S,3R,5S,7R)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene
Product Data
Storage Temperature
+20°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
Methanol
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