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3351-31-3

3351-31-3 Structure

3351-31-3 Structure
IdentificationBack Directory
[Name]

3-METHYLCHRYSENE
[CAS]

3351-31-3
[Synonyms]

NSC 135887
3-methyl-chrysen
3-METHYLCHRYSENE
CHRYSENE,3-METHYL-
22966, 3-Methylchrysene (purity)
[Molecular Formula]

C19H14
[MDL Number]

MFCD00215917
[MOL File]

3351-31-3.mol
[Molecular Weight]

242.31
Chemical PropertiesBack Directory
[Melting point ]

173.5°C
[Boiling point ]

465.14°C (rough estimate)
[density ]

1.1011 (estimate)
[refractive index ]

1.7480 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
[form ]

neat
[BRN ]

2557419
[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
[InChIKey]

JLIHUJWAXSZIHS-UHFFFAOYSA-N
[SMILES]

Cc1ccc2ccc3c4ccccc4ccc3c2c1
[IARC]

3 (Vol. Sup 7, 92) 2010
[EPA Substance Registry System]

3-Methylchrysene (3351-31-3)
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

36-50/53
[Safety Statements ]

36/37-60-61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[RTECS ]

GC1380000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

3-Methylchrysene is one of the methylated chrysenes (MeChry), as an aryl hydrocarbon receptor (AhR) agonist. Methylated chrysenes (MeChry) are important cigarette smoke constituents and 5-MeChry has been listed as possibly carcinogenic to humans. 3-Methylchrysene is a possible carcinogenic agent.
[Definition]

ChEBI: 3-Methylchrysene is a carbopolycyclic compound.
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