Empirical Formula of 9,10-Di-n-butyl-1,2,5,6-dibenzanthracene (CAS NO.63041-48-5): C30H30
Molecular Weight: 390.5592
Index of Refraction: 1.68
Density: 1.092 g/cm3
Flash Point: 313.4 °C
Enthalpy of Vaporization: 85.27 kJ/mol
Boiling Point: 593.9 °C at 760 mmHg
Vapour Pressure: 1.89E-13 mmHg at 25 °C
Structure of 9,10-Di-n-butyl-1,2,5,6-dibenzanthracene (CAS NO.63041-48-5):
IUPAC Name: 7,14-Dibutylnaphtho[1,2-b]phenanthrene
Canonical SMILES: CCCCC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C5=CC=CC=C5C=C4)CCCC
InChI: InChI=1S/C30H30/c1-3-5-13-25-27-19-17-22-12-8-10-16-24(22)30(27)26(14-6-4-2)28-20-18-21-11-7-9-15-23(21)29(25)28/h7-12,15-20H,3-6,13-14H2,1-2H3
InChIKey: PWNKGPLRYNPQQP-UHFFFAOYSA-N
1. | skn-mus TDLo:1250 mg/kg/52W-I:ETA | PRLBA4 Proceedings of the Royal Society of London, Series B, Biological Sciences. 117 (1935),318. |
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition 9,10-Di-n-butyl-1,2,5,6-dibenzanthracene (CAS NO.63041-48-5) emits acrid smoke and irritating fumes.
9,10-Di-n-butyl-1,2,5,6-dibenzanthracene , its cas register number is 63041-48-5. It also can be called LS-60314 ; BRN 3462481 ; and Dibenz(a,h)anthracene, 7,14-dibutyl- .
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