IUPAC Name: 8-Butylbenzo[b]phenanthrene
Following is the structure of 5-n-Butyl-1,2-benzanthracene (CAS NO.63018-64-4):
Empirical Formula: C22H20
Molecular Weight: 284.3942 g/mol
Surface Tension: 47.1 dyne/cm
Density: 1.103 g/cm3
Flash Point: 237.6 °C
Enthalpy of Vaporization: 71.28 kJ/mol
Boiling Point: 477.2 °C at 760 mmHg
Vapour Pressure: 8.24E-09 mmHg at 25 °C
Index of Refraction of 5-n-Butyl-1,2-benzanthracene (CAS NO.63018-64-4): 1.691
Canonical SMILES: CCCCC1=CC=CC2=CC3=C(C=CC4=CC=CC=C43)C=C21
InChI: InChI=1S/C22H20/c1-2-3-7-16-9-6-10-18-15-22-19(14-21(16)18)13-12-17-8-4-5-11-20(17)22/h4-6,8-15H,2-3,7H2,1H3
InChIKey: HMFLIULWWNWGBP-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition, 5-n-Butyl-1,2-benzanthracene (CAS NO.63018-64-4) emits acrid smoke and irritating fumes.
5-n-Butyl-1,2-benzanthracene , its cas register number is 63018-64-4. It also can be called 8-Hexylbenz(a)anthracene ; and Benz(a)anthracene, 8-butyl- . Its classification code is Tumor data.
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