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6,8,12-Trimethylbenz(a)anthracene

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Name

6,8,12-Trimethylbenz(a)anthracene

EINECS N/A
CAS No. 20627-34-3 Density 1.123g/cm3
PSA 0.00000 LogP 6.07140
Solubility N/A Melting Point N/A
Formula C21H18 Boiling Point 477.5°Cat760mmHg
Molecular Weight 270.374 Flash Point 236.8°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 20627-34-3 (Benz(a)anthracene, 6,8,12-trimethyl-) Hazard Symbols N/A
Synonyms

6,8,12-Trimethylbenz[a]anthracene

 

6,8,12-Trimethylbenz(a)anthracene Chemical Properties

IUPAC Name: 6,8,12-trimethylbenzo[b]phenanthrene 
Empirical Formula: C21H18
Molecular Weight: 270.3676g/mol
Structure of 6,8,12-Trimethylbenz(a)anthracene (CAS NO.20627-34-3):

Index of Refraction: 1.712
Molar Refractivity: 94.25 cm3
Molar Volume: 240.6 cm3
Polarizability: 37.36×10-24cm3
Surface Tension: 47.5 dyne/cm
Density: 1.123 g/cm3
Flash Point: 236.8 °C
Enthalpy of Vaporization: 71.31 kJ/mol
Boiling Point: 477.5 °C at 760 mmHg
Vapour Pressure: 8.05E-09 mmHg at 25°C 
Classification Code: Mutation data, Tumor data 
Canonical SMILES: CC1=CC=CC2=C(C3=C(C=C12)C(=CC4=CC=CC=C43)C)C
InChI: InChI=1S/C21H18/c1-13-7-6-10-17-15(3)21-18-9-5-4-8-16(18)11-14(2)20(21)12-19(13)17/h4-12H,1-3H3
InChIKey: ZUXQCNITNWNRAE-UHFFFAOYSA-N

6,8,12-Trimethylbenz(a)anthracene Toxicity Data With Reference

1.    

cyt-rat-ivn 50 mg/kg

    GANNA2    Gann. Japanese Journal of Cancer Research. 64 (1973),637.
2.    

cyt-rat-ipr 140 mg/kg/10D-I

    JEMEAV    Journal of Experimental Medicine. 131 (1970),331.

6,8,12-Trimethylbenz(a)anthracene Safety Profile

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

6,8,12-Trimethylbenz(a)anthracene Specification

  6,8,12-Trimethylbenz(a)anthracene , its cas register number is 20627-34-3. It also can be called BRN 1970612 . When heated to decomposition it emits acrid smoke and irritating fumes.

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