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Basic Information
CAS No.: 52171-92-3
Name: 1,11-Dimethylchrysene
Molecular Structure:
Molecular Structure of 52171-92-3 (1,11-Dimethylchrysene)
Formula: C20H16
Molecular Weight: 256.36
Synonyms: CHRYSENE,1,11-DIMETHYL;5,7-Dimethylchrysene;
Density: 1.142g/cm3
Melting Point: 196.4°C (estimate)
Boiling Point: 460.2°Cat760mmHg
Flash Point: 225.4°C
Safety: Mutation data reported. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE.
PSA: 0.00000
LogP: 5.76300
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Chemistry

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:

Toxicity Data With Reference

1.    

mma-sat 20 µg/plate

     CNREA8    Cancer Research. 36 (1976),4525.

Consensus Reports

EPA Genetic Toxicology Program.

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.

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