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2869-10-5

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Basic Information
CAS No.: 2869-10-5
Name: 6-Methylnaphtho[1,2,3,4-def]chrysene
Molecular Structure:
Molecular Structure of 2869-10-5 (6-Methylnaphtho[1,2,3,4-def]chrysene)
Formula: C25H16
Molecular Weight: 316.402
Synonyms: Naphtho[1,2,3,4-def]chrysene,6-methyl- (7CI,8CI)
Density: 1.283g/cm3
Boiling Point: 562.1°C at 760 mmHg
Flash Point: 288.8°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 7.19880
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Chemistry

Empirical Formula: C25H16
Molecular Weight: 316.3945g/mol
Structure of 6-Methylnaphtho(1,2,3,4-def)chrysene (CAS NO.2869-10-5):

Index of Refraction: 1.881
Molar Refractivity: 112.97 cm3
Molar Volume: 246.4 cm3
Polarizability: 44.78×10-24cm3
Surface Tension: 63.2 dyne/cm
Density: 1.283 g/cm3
Flash Point: 288.8 °C
Enthalpy of Vaporization: 81.36 kJ/mol
Boiling Point: 562.1 °C at 760 mmHg
Vapour Pressure: 4.42E-12 mmHg at 25°C 
Classification Code: Tumor data
Canonical SMILES: CC1=CC2=C(C=C1)C3=CC=CC4=C3C5=C(C=C4)C6=CC=CC=C6C=C25
InChI: InChI=1S/C25H16/c1-15-9-11-19-20-8-4-6-16-10-12-21-18-7-3-2-5-17(18)14-23(22(19)13-15)25(21)24(16)20/h2-14H,1H3
InChIKey: BQMIUTSTUJZJMF-UHFFFAOYSA-N

Safety Profile

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

Specification

 6-Methylnaphtho(1,2,3,4-def)chrysene , its cas register number is 2869-10-5. It also can be called 3'-Methyl-1,2:4,5-dibenzopyrene ; 4-05-00-02807 (Beilstein Handbook Reference) ; BRN 2535142 .