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Following is the structure of 5-Methyl-dibenzo(b,def)chrysene (CAS NO.33942-87-9):
Empirical Formula: C25H16
Molecular Weight: 316.3945 g/mol
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
Index of Refraction of 5-Methyl-dibenzo(b,def)chrysene (CAS NO.33942-87-9): 1.881
Canonical SMILES: CC1=CC2=CC3=CC=CC=C3C4=C2C5=C1C6=CC=CC=C6C=C5C=C4
InChI: InChI=1S/C25H16/c1-15-12-19-14-16-6-2-4-8-20(16)22-11-10-18-13-17-7-3-5-9-21(17)23(15)25(18)24(19)22/h2-14H,1H3
InChIKey: VVJPRGSEAYLVRT-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition, 5-Methyl-dibenzo(b,def)chrysene (CAS NO.33942-87-9) emits acrid smoke and irritating fumes.
5-Methyl-dibenzo(b,def)chrysene , its cas register number is 33942-87-9. It also can be called Dibenzo(b,def)chrysene, 5-methyl- ; and 5-Methyl-3,4:8,9-dibenzopyrene . Its classification code is Tumor data.