6-CHLOROMETHYLBENZO(A)PYRENE

IUPAC Name: 6-(chloromethyl)benzo[a]pyrene 
Empirical Formula: C₂₁H₁₃Cl
Molecular Weight: 300.7809g/mol
Structure of 6-(Chloromethyl)benzo(a)pyrene (CAS NO.49852-84-8):

Index of Refraction: 1.851
Molar Refractivity: 100.07 cm³
Molar Volume: 223.7 cm³
Polarizability: 39.67×10^-24cm³
Surface Tension: 62.3 dyne/cm
Density: 1.344 g/cm³
Flash Point: 243.6 °C
Enthalpy of Vaporization: 76.52 kJ/mol
Boiling Point: 521.9 °C at 760 mmHg
Vapour Pressure: 1.81E-10 mmHg at 25°C 
Classification Code: Mutation data, Tumor data 
Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=C2CCl)C=CC5=CC=CC(=C54)C=C3
InChI: InChI=1S/C21H13Cl/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11H,12H2
InChIKey: FRHNMMRZSKOSOL-UHFFFAOYSA-N

Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, AROMATIC.

  6-(Chloromethyl)benzo(a)pyrene , its cas register number is 49852-84-8. It also can be called  BRN 2056882 ; CCRIS 2523 . When 6-(Chloromethyl)benzo(a)pyrene (CAS NO.49852-84-8) is heated to decomposition, it emits very toxic fumes of Cl⁻.