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63018-63-3

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Basic Information
CAS No.: 63018-63-3
Name: 8-Bromo-7,12-dimethylbenz[a]anthracene
Molecular Structure:
Molecular Structure of 63018-63-3 (8-Bromo-7,12-dimethylbenz[a]anthracene)
Formula: C20H15Br
Molecular Weight: 335.26
Synonyms: 5-Bromo-9,10-dimethyl-1,2-benzanthracene;8-bromo-7,12-dimethyl-benz[a]anthracene;8-Brom-7,12-dimethyl-benz[a]anthracen;BENZ(a)ANTHRACENE,8-BROMO-7,12-DIMETHYL;
Density: 1.393g/cm3
Boiling Point: 506.9°C at 760 mmHg
Flash Point: 256.8°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of Br−.
PSA: 0.00000
LogP: 6.52550
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Chemistry

Molecule structure of 5-Bromo-9,10-dimethyl-1,2-benzanthracene (CAS NO.63018-63-3):

IUPAC Name: 8-Bromo-7,12-dimethylbenzo[b]phenanthrene 
Molecular Weight: 335.2371 g/mol
Molecular Formula: C20H15Br 
Density: 1.393 g/cm3 
Boiling Point: 506.9 °C at 760 mmHg 
Flash Point: 256.8 °C
Index of Refraction: 1.741
Molar Refractivity: 97.12 cm3
Molar Volume: 240.5 cm3
Polarizability: 38.5×10-24 cm3
Surface Tension: 51.5 dyne/cm
Enthalpy of Vaporization: 74.75 kJ/mol
Vapour Pressure: 6.72E-10 mmHg at 25 °C
XLogP3: 6.5
Exact Mass: 334.035713
MonoIsotopic Mass: 334.035713
Heavy Atom Count: 21
Complexity: 378
Canonical SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C(=CC=C4)Br)C
InChI: InChI=1S/C20H15Br/c1-12-15-8-5-9-18(21)20(15)13(2)16-11-10-14-6-3-4-7-17(14)19(12)16/h3-11H,1-2H3
InChIKey: LMIYILXYMXQTNN-UHFFFAOYSA-N
Classification Code: Tumor data

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of Br−.

Specification

 5-Bromo-9,10-dimethyl-1,2-benzanthracene (CAS NO.63018-63-3) is also named as 3-05-00-02414 (Beilstein Handbook Reference) ; 8-Bromo-7,12-dimethylbenz(a)anthracene ; BRN 3334755 ; Benz(a)anthracene, 8-bromo-7,12-dimethyl- . 5-Bromo-9,10-dimethyl-1,2-benzanthracene (CAS NO.63018-63-3) is toxic. It will produce toxic bromide smoke when buring. So the storage environment should be ventilate, low-temperature and dry.