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Basic Information
CAS No.: 13345-61-4
Name: 7-FORMYL-12-METHYLBENZ(A)ANTHRACENE
Molecular Structure:
Molecular Structure of 13345-61-4 (7-FORMYL-12-METHYLBENZ(A)ANTHRACENE)
Formula: C20H14 O
Molecular Weight: 270.34
Synonyms: 12-Methylbenz[a]anthracene-7-carboxaldehyde;7-Formyl-12-methylbenz[a]anthracene
Density: 1.23g/cm3
Boiling Point: 508.5°Cat760mmHg
Flash Point: 338.7°C
Safety: Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 17.07000
LogP: 5.26710
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    13345-61-4

    Benz[a]anthracene-7-carboxaldehyde,12-methyl-

    Min.Order: 10 Gram

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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    China (Mainland)  |  Contact Details

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Chemistry

The Molecular Structure of 7-Formyl-12-methylbenz(a)anthracene (CAS NO.13345-61-4):

Molecular Formula: C20H14O
Molecular Weight: 270.324560 g/mol
Index of Refraction: 1.77
Molar Refractivity: 91.35 cm3
Molar Volume: 219.7 cm3
Surface Tension: 56.1 dyne/cm
Density: 1.23 g/cm3
Flash Point: 338.7 °C
Enthalpy of Vaporization: 77.88 kJ/mol
Boiling Point: 508.5 °C at 760 mmHg
Vapour Pressure: 1.85E-10 mmHg at 25°C 
Classification Code: Mutation data,Tumor data 
InChI
InChI=1/C20H14O/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/h2-12H,1H3
Smiles
c12c(c(c3ccccc3c2C)C=O)ccc2c1cccc2 
The IUPAC of 7-Formyl-12-methylbenz(a)anthracene (CAS NO.13345-61-4) is 12-methylbenzo[b]phenanthrene-7-carbaldehyde .

Toxicity Data With Reference

1.    

dni-omi 200 µg/L

     PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 74 (1977),1378.

Safety Profile

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

Specification

 7-Formyl-12-methylbenz(a)anthracene (CAS NO.13345-61-4) is also called as 12-Methylbenz(a)anthracene-7-carboxaldehyde ; 3-07-00-02816 (Beilstein Handbook Reference) ; BRN 2460922 ; CCRIS 9013 ; Benz(a)anthracene-7-carboxaldehyde, 12-methyl- .