PAH/PCB/Pesticides Mixture 322 100 µg/mL in Cyclohexane
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- structure.search.product.name PAH/PCB/Pesticides Mixture 322 100 µg/mL in Cyclohexane
- Product Code: DRE-A50000322CY
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-A50000322CY
CAS Number
24 AnalytesProduct Format
Mixture
Solvent
Cyclohexane
Product Categories
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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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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2,4'-DDD
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10 Cl4
Molecular Weight
320.04
Accurate Mass
317.9537
SMILES
ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl
InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
2,4'-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)c2ccccc2Cl)Cl
InChI
InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
2,4'-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(c2ccccc2Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
IUPAC
1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
4,4'-DDD
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10 Cl4
Molecular Weight
320.04
Accurate Mass
317.9537
SMILES
ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2
InChI
InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
IUPAC
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
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
alpha-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+/m0/s1
IUPAC
1,2,3,4,5,6-hexachlorocyclohexane
Anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10
Molecular Weight
178.23
Accurate Mass
178.0783
SMILES
c1ccc2cc3ccccc3cc2c1
InChI
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
IUPAC
anthracene
Benzo(k)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2cc3c(cc2c1)c4cccc5cccc3c45
InChI
InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
IUPAC
benzo[k]fluoranthene
Benzo[a]pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
InChI
InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
IUPAC
benzo[a]pyrene
Benzo[b]fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)c3cccc4c5ccccc5cc2c34
InChI
InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
IUPAC
Benzo[b]fluoranthene
Benzo[ghi]perylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H12
Molecular Weight
276.33
Accurate Mass
276.0939
SMILES
c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
InChI
InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
IUPAC
Benzo[g,h,i]perylene
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
Fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H10
Molecular Weight
202.25
Accurate Mass
202.0783
SMILES
c1ccc2c(c1)c3cccc4cccc2c34
InChI
InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
IUPAC
fluoranthene
gamma-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
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
Indeno[1,2,3-cd]pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H12
Molecular Weight
276.33
Accurate Mass
276.0939
SMILES
c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56
InChI
InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
IUPAC
Indeno(1,2,3-c,d)pyrene
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. 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. 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. 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. 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
Product Data
Storage Temperature
-18°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Type
Native/Parent
Product Format
Mixture
Solvent
Cyclohexane
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