Molecular Structure of Benzo(l)cyclopenta(cd)pyrene (CAS NO. 113779-16-1):
Empirical Formula: C22H12
Molecular Weight: 276.3307
ACD/LogP: 7.22
of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 7.22
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 5.5): 180129.25
ACD/BCF (pH 7.4): 180129.25
ACD/KOC (pH 5.5): 201151.63
ACD/KOC (pH 7.4): 201151.63
Molar Refractivity: 97.47 cm3
Molar Volume: 200.7 cm3
Index of Refraction: 1.957
Surface Tension: 75.1 dyne/cm
Density: 1.376 g/cm3
Flash Point: 265.3 °C
Enthalpy of Vaporization: 77.17 kJ/mol
Boiling Point: 527.3 °C at 760 mmHg
Vapour Pressure: 1.11E-10 mmHg at 25°C
1. | mic-bac-sat 500 µg/L | MUREAV Mutation Research. 260 (1991),271. |
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Benzo(l)cyclopenta(cd)pyrene , its CAS number is 113779-16-1, it can be called naphtho(1,2,3-mno)acephenanthrylene . Benzo(l)cyclopenta(cd)pyrene (CAS NO. 113779-16-1) is a toxic substance, with flammability, burning will produce stimulus smoke, so it should be stored in cool and dry environment, dry powder, foam, sand, carbon dioxide, water mist can be used if something urgent happened.
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