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16238-56-5

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Basic Information
CAS No.: 16238-56-5
Name: Benz(a)anthracene, 7-bromomethyl-12-methyl.
Article Data: 2
Molecular Structure:
Molecular Structure of 16238-56-5 (Benz(a)anthracene, 7-bromomethyl-12-methyl.)
Formula: C20H15 Br
Molecular Weight: 335.26
Synonyms: 7-(Bromomethyl)-12-methylbenz[a]anthracene
Density: 1.411g/cm3
Boiling Point: 513°C at 760 mmHg
Flash Point: 258.5°C
Safety: Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Br−.
PSA: 0.00000
LogP: 6.34950
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Chemistry

Molecular Structure of 7-Bromomethyl-12-methylbenz(a)anthracene (CAS NO.16238-56-5):


IUPAC: 7-(Bromomethyl)-12-methyltetraphene
Molecular Formula:  C20H15Br
Molecular Weight: 335.2371
Density: 1.411 g/cm3 
Flash Point: 258.5oC
Boiling Point: 513oC at 760 mmHg
Index of Refraction: 1.754 
Molar Volume: 237.5 cm3 
Surface Tension: 54.4 dyne/cm 
Enthalpy of Vaporization: 75.47 kJ/mol
Vapour Pressure: 3.98E-10 mmHg at 25oC
Product Categories: Mutation data ; Tumor data
SMILES: BrCc3c4c(c(c2c1ccccc1ccc23)C)cccc4
InChI: InChI=1/C20H15Br/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/h2-11H,12H2,1H3 
InChIKey: IBWBDNBSIFGSLW-UHFFFAOYAW

Toxicity Data With Reference

1.    

mmo-sat 300 ng/plate

     ENMUDM    Environmental Mutagenesis. 6 (Suppl 2)(1984),1.
2.    

mmo-esc 1 µg/plate

     ENMUDM    Environmental Mutagenesis. 6 (Suppl 2)(1984),1.
3.    

otr-rat:emb 270 µg/L

     JJIND8    JNCI, Journal of the National Cancer Institute. 67 (1981),1303.
4.    

otr-mus:fbr 16 µg/L

     JJIND8    JNCI, Journal of the National Cancer Institute. 67 (1981),1303.
5.    

dnd-mus:emb 500 nmol/L

     CALEDQ    Cancer Letters (Shannon, Ireland). 7 (1979),103.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Br−.

Specification

 7-Bromomethyl-12-methylbenz(a)anthracene with cas registry number of 16238-56-5 is also known as 7-Bromomethyl-12-methylbenzanthracene ; 7-(Bromomethyl)-12-methylbenz(a)anthracene ; Benz(a)anthracene, 7-(bromomethyl)-12-methyl- ; Benz(a)anthracene, 7-bromomethyl-12-methyl- . It would emit toxic vapors when heated to decomposition. It is a mutation which is used in research . 7-Bromomethyl-12-methylbenz(a)anthracene with cas registry number of 16238-56-5 is used as a pharmaceutical intermediate .