PAHs in Toluene
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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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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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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
Acenaphthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H10
Molecular Weight
154.21
Accurate Mass
154.0783
SMILES
C1Cc2cccc3cccc1c23
InChI
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
IUPAC
1,2-dihydroacenaphthylene
Acenaphthylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8
Molecular Weight
152.19
Accurate Mass
152.0626
SMILES
C1=Cc2cccc3cccc1c23
InChI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
IUPAC
acenaphthylene
Anthanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H12
Molecular Weight
276.33
Accurate Mass
276.0939
SMILES
c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c45
InChI
InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H
IUPAC
Anthanthrene
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
Benz[a]anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2cc3c(ccc4ccccc34)cc2c1
InChI
InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
IUPAC
benzo[a]anthracene
Benzo(a)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)c3cccc4cc5ccccc5c2c34
InChI
InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H
IUPAC
Benzo[a]fluoranthene
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(g,h,i)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H10
Molecular Weight
226.27
Accurate Mass
226.0783
SMILES
c1cc2c3cccc4ccc5ccc(c1)c2c5c34
InChI
InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H
IUPAC
Benzo[g,h,i]fluoranthene
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[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
Biphenyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H10
Molecular Weight
154.21
Accurate Mass
154.0783
SMILES
c1ccc(cc1)c2ccccc2
InChI
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
IUPAC
1,1'-biphenyl
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
Coronene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H12
Molecular Weight
300.35
Accurate Mass
300.0939
SMILES
c1cc2ccc3ccc4ccc5ccc6ccc1c7c6c5c4c3c27
InChI
InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
IUPAC
coronene
Cyclopenta(c,d)pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H10
Molecular Weight
226.27
Accurate Mass
226.0783
SMILES
C1=Cc2cc3cccc4ccc5ccc1c2c5c34
InChI
InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H
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,h)anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H14
Molecular Weight
278.35
Accurate Mass
278.1096
SMILES
c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
IUPAC
naphtho[1,2-b]phenanthrene
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
Dibenzo[a,c]anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H14
Molecular Weight
278.35
Accurate Mass
278.1096
SMILES
c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1
InChI
InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
IUPAC
benzo[b]triphenylene
Dibenzothiophene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 S
Molecular Weight
184.26
Accurate Mass
184.0347
SMILES
c1ccc2c(c1)sc3ccccc23
InChI
InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
IUPAC
dibenzothiophene
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
Fluorene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H10
Molecular Weight
166.22
Accurate Mass
166.0783
SMILES
C1c2ccccc2c3ccccc13
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
IUPAC
9H-fluorene
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
Naphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H8
Molecular Weight
128.17
Accurate Mass
128.0626
SMILES
c1ccc2ccccc2c1
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
IUPAC
naphthalene
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
Phenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10
Molecular Weight
178.23
Accurate Mass
178.0783
SMILES
c1ccc2c(c1)ccc3ccccc23
InChI
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
IUPAC
phenanthrene
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
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
+18°C
Shipping Temperature
No freezing
Country of Origin
UNITED STATES
Transport Restrictions
Air Excepted
Product Attributes
Matrix
Toluene
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