Diesel particulate matter - PAHs and nitro-PAHs
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- structure.search.product.name Diesel particulate matter - PAHs and nitro-PAHs
- Product Code: NIST-1650B
- Brand: National Institute of Standards and Technology
Product Overview
Documentation
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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
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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1-Methylphenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H12
Molecular Weight
192.26
Accurate Mass
192.0939
SMILES
Cc1cccc2c1ccc3ccccc23
InChI
InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3
IUPAC
1-methylphenanthrene
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-Methylphenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H12
Molecular Weight
192.26
Accurate Mass
192.0939
SMILES
Cc1ccc2c(ccc3ccccc23)c1
InChI
InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3
IUPAC
2-methylphenanthrene
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
3-Methylphenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H12
Molecular Weight
192.26
Accurate Mass
192.0939
SMILES
Cc1ccc2ccc3ccccc3c2c1
InChI
InChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3
IUPAC
3-methylphenanthrene
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
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-Methylphenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H12
Molecular Weight
192.26
Accurate Mass
192.0939
SMILES
Cc1cc2ccccc2c3ccccc13
InChI
InChI=1S/C15H12/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-10H,1H3
IUPAC
9-methylphenanthrene
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
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
IUPAC
Benzo[b]chrysene
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
C12=CC=CC=C1C3=C4C5=C2C=CC=C5C=CC4=CC=C3
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
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13,15,17-nonaene
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
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,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[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
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
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
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
Product Data
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Matrix
Diesel particulate