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2606-85-1

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Basic Information
CAS No.: 2606-85-1
Name: 2-Methyl-3,4-benzophenanthrene
Article Data: 19
Molecular Structure:
Molecular Structure of 2606-85-1 (2-Methyl-3,4-benzophenanthrene)
Formula: C19H14
Molecular Weight: 242.32
Synonyms: 2-Methyl-3,4-benzophenanthrene;2-Methylbenzo[c]phenanthrene; NSC 171295
Density: 1.164g/cm3
Melting Point: 81.75°C
Boiling Point: 449.4°Cat760mmHg
Flash Point: 217.8°C
Safety: Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 5.45460
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Chemistry

IUPAC Name: 11-methylbenzo[c]phenanthrene 
Empirical Formula: C19H14  
Molecular Weight: 242.3145g/mol

Index of Refraction: 1.748
Molar Refractivity: 84.6 cm3
Molar Volume: 208 cm3
Polarizability: 33.54×10-24cm3
Surface Tension: 51.1 dyne/cm
Density: 1.164 g/cm3
Flash Point: 217.8 °C
Enthalpy of Vaporization: 68.09 kJ/mol
Boiling Point: 449.4 °C at 760 mmHg
Vapour Pressure: 7.61E-08 mmHg at 25°C 
Classification Code: Tumor data
Canonical SMILES: CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3
InChI: InChI=1S/C19H14/c1-13-6-7-15-9-11-16-10-8-14-4-2-3-5-17(14)19(16)18(15)12-13/h2-12H,1H3
InChIKey: BJUXRTTZOOHUQP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

scu-mus TDLo:4400 mg/kg/67W-I:ETA,REP

     PRLBA4    Proceedings of the Royal Society of London, Series B, Biological Sciences. 129 (1940),439.

Safety Profile

Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

  6-Methyl-3:4-benzphenanthrene , its cas register number is 2606-85-1. It also can be called 2-Methyl-3,4-benzophenanthrene ; 2-Methylbenzo(c)phenanthrene ; 4-05-00-02570 (Beilstein Handbook Reference) ; BRN 1872511 ;
 NSC 171295 .