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568-75-2

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Basic Information
CAS No.: 568-75-2
Name: 7-hydroxymethyl-12-methylbenz(a)anthracene
Article Data: 5
Molecular Structure:
Molecular Structure of 568-75-2 (7-hydroxymethyl-12-methylbenz(a)anthracene)
Formula: C20H16 O
Molecular Weight: 272.36
Synonyms: 7-(Hydroxymethyl)-12-methylbenz[a]anthracene
Density: 1.227g/cm3
Melting Point: 162-163 °C
Boiling Point: 523.8°C at 760 mmHg
Flash Point: 225.9°C
Safety: Poison by intravenous route. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
PSA: 20.23000
LogP: 4.94690
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Chemistry

Product Name: 7-Hydroxymethyl-12-methylbenz(a)anthracene (CAS NO.568-75-2)


Molecular Formula: C20H16O
Molecular Weight: 272.36g/mol
Mol File: 568-75-2.mol
Boiling point: 523.8 °C at 760 mmHg
Storage Temperature:
Flash Point: 225.9 °C
Density: 1.227 g/cm3
Surface Tension: 57.1 dyne/cm
Enthalpy of Vaporization: 83.96 kJ/mol
Vapour Pressure: 8.45E-12 mmHg at 25°C
XLogP3-AA: 4.5
H-Bond Donor: 1
H-Bond Acceptor: 1
IUPAC Name: (12-methylbenzo[b]phenanthren-7-yl)methanol
Canonical SMILES: CC1=C2C(=C(C3=CC=CC=C13)CO)C=CC4=CC=CC=C42
InChI: InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16
(14)20(13)18/h2-11,21H,12H2,1H3 
InChIKey: JCBBZYDVQJQMMB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

dnd-rat-ipr 100 µmol/kg

     CRNGDP    Carcinogenesis. 3 (1982),297.
2.    

dnd-mus-skn 16 µmol/kg

     CNREA8    Cancer Research. 43 (1983),4221.
3.    

ivn-rat LD50:73 mg/kg

     KIDZAK    Kansai Ika Daigaku Zasshi. Journal of the Kansai Medical School. 23 (Suppl 1)(1971),35.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intravenous route. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.

Specification

 7-Hydroxymethyl-12-methylbenz(a)anthracene ,its CAS NO. is 568-75-2,the synonyms is (12-methylbenzo[b]phenanthren-7-yl)methanol ; 12-Methylbenz(a)anthracene-7-methanol ; Benz(a)anthracene-7-methanol, 12-methyl- .