Product Name: 5-Methylnaphtho(1,2,3,4-def)chrysene (CAS NO.2869-09-2)
Molecular Formula: C25H16
Molecular Weight: 316.41g/mol
Mol File: 2869-09-2.mol
Boiling point: 562.1 °C at 760 mmHg
Flash Point: 288.8 °C
Density: 1.283g/cm3
Surface Tension: 63.2 dyne/cm
Enthalpy of Vaporization: 81.36 kJ/mol
Vapour Pressure: 4.42E-12 mmHg at 25°C
XLogP3-AA: 7.6
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: CC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C5=C3C6=C(C=CC=C26)C=C5
InChI: InChI=1S/C25H16/c1-15-9-11-19-22(13-15)20-8-4-6-16-10-12-21-18-7-3-2-5-
17(18)14-23(19)25(21)24(16)20/h2-14H,1H3
InChIKey: YBCLAXDVBPWLAK-UHFFFAOYSA-N
1. | scu-mus TDLo:72 mg/kg/9W-I:ETA | COREAF Comptes Rendus Hebdomadaires des Seances de lAcademie des Sciences. 259 (1964),3899. |
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
5-Methylnaphtho(1,2,3,4-def)chrysene ,its CAS NO. is 2869-09-2,the synonyms is 2'-Methyl-1,2:4,5-dibenzopyrene ; 4-05-00-02806 (Beilstein Handbook Reference) ; BRN 2534249 ; Naphtho(1,2,3,4-def)chrysene, 5-methyl- .
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