Methyl-Substituted Polycyclic Aromatic Hydrocarbons in Toluene
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- Product Name: Methyl-Substituted Polycyclic Aromatic Hydrocarbons in Toluene
- Product Code: NIST-1491A
- Brand: National Institute of Standards and Technology
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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1,2-Dimethylnaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H12
Molecular Weight
156.22
Accurate Mass
156.0939
SMILES
Cc1ccc2ccccc2c1C
InChI
InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3
IUPAC
1,2-dimethylnaphthalene
1,6-Dimethylnaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H12
Molecular Weight
156.22
Accurate Mass
156.0939
SMILES
Cc1ccc2c(C)cccc2c1
InChI
InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
IUPAC
1,6-dimethylnaphthalene
1,7-Dimethylphenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16H14
Molecular Weight
206.28
Accurate Mass
206.1096
SMILES
Cc1ccc2c(ccc3c(C)cccc23)c1
InChI
InChI=1S/C16H14/c1-11-6-8-15-13(10-11)7-9-14-12(2)4-3-5-16(14)15/h3-10H,1-2H3
IUPAC
1,7-dimethylphenanthrene
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-Methylnaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H10
Molecular Weight
142.20
Accurate Mass
142.0783
SMILES
Cc1cccc2ccccc12
InChI
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
IUPAC
1-methylnaphthalene
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-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
2,6-Dimethylnaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H12
Molecular Weight
156.22
Accurate Mass
156.0939
SMILES
Cc1ccc2cc(C)ccc2c1
InChI
InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
IUPAC
2,6-dimethylnaphthalene
2-Methylanthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H12
Molecular Weight
192.26
Accurate Mass
192.0939
SMILES
Cc1ccc2cc3ccccc3cc2c1
InChI
InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3
IUPAC
2-methylanthracene
2-Methylnaphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H10
Molecular Weight
142.20
Accurate Mass
142.0783
SMILES
Cc1ccc2ccccc2c1
InChI
InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
IUPAC
2-methylnaphthalene
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
3-Methylchrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H14
Molecular Weight
242.31
Accurate Mass
242.1096
SMILES
Cc1ccc2ccc3c4ccccc4ccc3c2c1
InChI
InChI=1S/C19H14/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2-12H,1H3
IUPAC
3-methylchrysene
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-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
4-Methylpyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17H12
Molecular Weight
216.28
Accurate Mass
216.0939
SMILES
Cc1cc2cccc3ccc4cccc1c4c23
InChI
InChI=1S/C17H12/c1-11-10-14-6-2-4-12-8-9-13-5-3-7-15(11)17(13)16(12)14/h2-10H,1H3
IUPAC
4-methylpyrene
6-Methyl chrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C₁₇H₁₂
Molecular Weight
216.28
Accurate Mass
-
6-Methylchrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H14
Molecular Weight
242.31
Accurate Mass
242.1096
SMILES
Cc1cc2c3ccccc3ccc2c4ccccc14
InChI
InChI=1S/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3
IUPAC
6-methylchrysene
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
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
Product Data
Storage Temperature
+18°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Transport Restrictions
Air Excepted
Tariff Code
38220000
Matrix
Toluene
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