Urban dust - Organic contaminants
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Product Information
Product Notes
LGC Limited is a Licensed Distributor of NIST Standard Reference Materials®, NIST®, STANDARD REFERENCE MATERIAL®, SRM® and depictions or representations thereof, are trademarks and service marks of the National Institute of Standards and Technology of the Department of Commerce. Please register your SRM purchase on the NIST website at www.nist.gov/srm/registration-and-surveys.
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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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-Methylfluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H12
Molecular Weight
216.28
Accurate Mass
216.0939
SMILES
Cc1ccc2cccc3c4ccccc4c1c23
InChI
InChI=1S/C17H12/c1-11-9-10-12-5-4-8-15-13-6-2-3-7-14(13)16(11)17(12)15/h2-10H,1H3
IUPAC
1-methylfluoranthene
1-Methylpyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H12
Molecular Weight
216.28
Accurate Mass
216.0939
SMILES
Cc1ccc2ccc3cccc4ccc1c2c34
InChI
InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3
IUPAC
1-methylpyrene
1-Nitropyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H9 N O2
Molecular Weight
247.25
Accurate Mass
247.0633
SMILES
[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34
InChI
InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
IUPAC
1-nitropyrene
2-Nitrofluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16H9NO2
Molecular Weight
247.25
Accurate Mass
247.0633
SMILES
[O-][N+](=O)c1cc2c3ccccc3c4cccc(c1)c24
InChI
InChI=1S/C16H9NO2/c18-17(19)11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-9H
IUPAC
2-nitrofluoranthene
2-Nitropyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H9 N O2
Molecular Weight
247.248
Accurate Mass
247.063
SMILES
[O-][N+](=O)c1cc2ccc3cccc4ccc(c1)c2c34
InChI
InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H
IUPAC
2-nitropyrene
3-Methylfluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17H12
Molecular Weight
216.28
Accurate Mass
216.0939
SMILES
Cc1ccc2c3ccccc3c4cccc1c24
InChI
InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3
IUPAC
3-methylfluoranthene
3-Nitrofluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H9 N O2
Molecular Weight
247.25
Accurate Mass
247.0633
SMILES
[O-][N+](=O)c1ccc2c3ccccc3c4cccc1c24
InChI
InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
IUPAC
3-nitrofluoranthene
3-Nitrophenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 N O2
Molecular Weight
223.23
Accurate Mass
223.0633
SMILES
[O-][N+](=O)c1ccc2ccc3ccccc3c2c1
InChI
InChI=1S/C14H9NO2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
IUPAC
3-nitrophenanthrene
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
4,5-Methylenephenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H10
Molecular Weight
190.24
Accurate Mass
190.0783
SMILES
C1c2cccc3ccc4cccc1c4c23
InChI
InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2
IUPAC
4,5-Methylenephenanthrene
6-Nitrochrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H11 N O2
Molecular Weight
273.29
Accurate Mass
273.079
SMILES
[O-][N+](=O)c1cc2c3ccccc3ccc2c4ccccc14
InChI
InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
IUPAC
6-nitrochrysene
7-Nitrobenzo[a]anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H11 N O2
Molecular Weight
273.29
Accurate Mass
273.079
SMILES
[O-][N+](=O)c1c2ccccc2cc3c1ccc4ccccc34
InChI
InChI=1S/C18H11NO2/c20-19(21)18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H
IUPAC
7-nitrobenzo[a]anthracene
9-Nitrophenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 N O2
Molecular Weight
223.23
Accurate Mass
223.0633
SMILES
[O-][N+](=O)c1cc2ccccc2c3ccccc13
InChI
InChI=1S/C14H9NO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
IUPAC
9-nitrophenanthrene
Benzo(b)chrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H14
Molecular Weight
278.3466
Accurate Mass
278.1096
SMILES
c1ccc2cc3c(ccc4c5ccccc5ccc34)cc2c1
InChI
InChI=1S/C22H14/c1-2-7-17-14-22-18(13-16(17)6-1)10-12-20-19-8-4-3-5-15(19)9-11-21(20)22/h1-14H
Benzo(b/k)fluoranthene
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Benzo(c)phenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2c(c1)ccc3ccc4ccccc4c23
InChI
InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
IUPAC
benzo[c]phenanthrene
Benzo(e)pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)c3cccc4ccc5cccc2c5c34
InChI
InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
IUPAC
benzo[e]pyrene
Benzo(j)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c3c(ccc2c1)c4cccc5cccc3c45
InChI
InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H
IUPAC
Benzo[j]fluoranthene
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[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
Cadmium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Cd
Molecular Weight
112.00
Accurate Mass
112.411
SMILES
[Cd]
IUPAC
Cadmium
Chrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2c(c1)ccc3c4ccccc4ccc23
InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
IUPAC
chrysene
Dibenzo(a,e)pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H14
Molecular Weight
302.37
Accurate Mass
302.1096
SMILES
c1ccc2c(c1)cc3c4ccccc4c5cccc6ccc2c3c56
InChI
InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H
IUPAC
Dibenzo[a,e]pyrene
Dibenzo(a,j)anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H14
Molecular Weight
278.35
Accurate Mass
278.1096
SMILES
c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H
IUPAC
Dibenzo(a,j)anthracene
Dibenzo(b,k)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H14
Molecular Weight
302.37
Accurate Mass
302.1096
SMILES
c1ccc2cc3c(cc2c1)c4cccc5c6ccccc6cc3c45
InChI
InChI=1S/C24H14/c1-2-7-16-13-22-21(12-15(16)6-1)20-11-5-10-19-18-9-4-3-8-17(18)14-23(22)24(19)20/h1-14H
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
Lead
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Pb
Molecular Weight
207.20
Accurate Mass
207.9766
SMILES
[Pb]
InChI
InChI=1S/Pb
IUPAC
lead
Mercury
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Hg
Molecular Weight
200.59
Accurate Mass
201.971
SMILES
[Hg]
InChI
InChI=1S/Hg
IUPAC
mercury
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. 110
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(cc1Cl)c2c(Cl)ccc(Cl)c2Cl
InChI
InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H
IUPAC
1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene
PCB No. 149
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)c2c(Cl)ccc(Cl)c2Cl
InChI
InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H
IUPAC
1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene
PCB No. 151
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl
InChI
InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
IUPAC
1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)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. 163
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1ccc(cc1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl
InChI
InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H
IUPAC
1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)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. 206
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H Cl9
Molecular Weight
464.21
Accurate Mass
459.7275
SMILES
Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H
IUPAC
1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene
PCB No. 49
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Cl4
Molecular Weight
291.99
Accurate Mass
289.9224
SMILES
Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl
InChI
InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H
IUPAC
1,4-dichloro-2-(2,4-dichlorophenyl)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
Perylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1cc2cccc3c4cccc5cccc(c(c1)c23)c45
InChI
InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
IUPAC
perylene
Picene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H14
Molecular Weight
278.35
Accurate Mass
278.1096
SMILES
c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34
InChI
InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
IUPAC
picene
Pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H10
Molecular Weight
202.25
Accurate Mass
202.0783
SMILES
c1cc2ccc3cccc4ccc(c1)c2c34
InChI
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
IUPAC
pyrene
Retene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H18
Molecular Weight
234.34
Accurate Mass
234.1409
SMILES
CC(C)c1ccc2c(ccc3c(C)cccc23)c1
InChI
InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
IUPAC
1-methyl-7-propan-2-ylphenanthrene
Trans-Chlordane (Gamma Isomer)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 Cl8
Molecular Weight
409.78
Accurate Mass
405.7978
SMILES
Cl[C@@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@@]3(Cl)C(=C(Cl)[C@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1
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)[C@H]2[C@@H]([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+
Triphenylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2c3ccccc3c4ccccc4c2c1
InChI
InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
IUPAC
triphenylene
Storage & Transport Information
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Attributes
Matrix
Dust
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