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1,11-Dimethylchrysene

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Name

1,11-Dimethylchrysene

EINECS N/A
CAS No. 52171-92-3 Density 1.142g/cm3
PSA 0.00000 LogP 5.76300
Solubility N/A Melting Point 196.4°C (estimate)
Formula C20H16 Boiling Point 460.2°Cat760mmHg
Molecular Weight 256.36 Flash Point 225.4°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE. Risk Codes N/A
Molecular Structure Molecular Structure of 52171-92-3 (1,11-Dimethylchrysene) Hazard Symbols N/A
Synonyms

CHRYSENE,1,11-DIMETHYL;5,7-Dimethylchrysene;

 

1,11-Dimethylchrysene Chemical Properties

Product Name: 1,11-Dimethylchrysene 
CAS Registry Number: 52171-92-3
Synonyms: 1,11-Dimethylchrysene ; 5,7-Dimethylchrysene 
Systematic Name: Chrysene, 1,11-dimethyl-
IUPAC Name: 1,11-Dimethylchrysene
Molecular Weight: 256.34104 [g/mol]
Molecular Formula: C20H16
XLogP3-AA: 6.4 
Surface Tension: 49.1 dyne/cm
Density: 1.142 g/cm3
Flash Point: 225.4 °C
Enthalpy of Vaporization: 69.32 kJ/mol
Boiling Point: 460.2 °C at 760 mmHg
Vapour Pressure: 3.26E-08 mmHg at 25°C
Following is the molecular structure of 1,11-Dimethylchrysene (CAS NO.52171-92-3 ) is:

1,11-Dimethylchrysene Toxicity Data With Reference

1.    

mma-sat 20 µg/plate

    CNREA8    Cancer Research. 36 (1976),4525.

1,11-Dimethylchrysene Consensus Reports

EPA Genetic Toxicology Program.

1,11-Dimethylchrysene Safety Profile

Mutation data reported. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE.

1,11-Dimethylchrysene Specification

Descriptors computed from structure, you can know some information about 1,11-Dimethylchrysene (CAS NO.52171-92-3 ) :
Canonical SMILES: CC1=CC=CC2=C3C=CC4=CC=CC=C4C3=C(C=C12)C
InChI: InChI=1S/C20H16/c1-13-6-5-9-17-18-11-10-15-7-3-4-8-16(15)20(18)14(2)12-19(13)17/h3-12H,1-2H3
InChIKey: HCLIIKXGJGYUBQ-UHFFFAOYSA-N
Exact Mass: 256.125201
MonoIsotopic Mass: 256.125201

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