Product Name

  • Name

    6-Methoxybenzo[a]pyrene

  • EINECS
  • CAS No. 52351-96-9
  • Density 1.282g/cm3
  • Solubility
  • Melting Point
  • Formula C21H14O
  • Boiling Point 498.6°C at 760 mmHg
  • Molecular Weight 282.35
  • Flash Point 206.4°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 52351-96-9 (6-Methoxybenzo[a]pyrene)
  • Hazard Symbols
  • Synonyms
  • PSA 9.23000
  • LogP 5.74580

6-Methoxybenzo(a)pyrene Chemical Properties

IUPAC Name: 6-methoxybenzo[a]pyrene 
Empirical Formula: C21H14O
Molecular Weight: 282.3353g/mol
Structure of 6-Methoxybenzo(a)pyrene (CAS NO.52351-96-9):

Index of Refraction: 1.833
Molar Refractivity: 96.98 cm3
Molar Volume: 220 cm3
Polarizability: 38.44×10-24cm3
Surface Tension: 59 dyne/cm
Density: 1.282 g/cm3
Flash Point: 206.4 °C
Enthalpy of Vaporization: 73.77 kJ/mol
Boiling Point: 498.6 °C at 760 mmHg
Vapour Pressure: 1.38E-09 mmHg at 25°C 
Classification Code: Mutation data, Tumor data 
Canonical SMILES: COC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51
InChI: InChI=1S/C21H14O/c1-22-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3
InChIKey: OSXVWSFKNYMAPX-UHFFFAOYSA-N

6-Methoxybenzo(a)pyrene Toxicity Data With Reference

1.    

mma-sat 18 nmol/plate

     BBRCA9    Biochemical and Biophysical Research Communications. 85 (1978),351.
2.    

skn-mus TDLo:180 mg/kg/40W-I:ETA

     CBINA8    Chemico-Biological Interactions. 22 (1)(1978),53.

6-Methoxybenzo(a)pyrene Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

6-Methoxybenzo(a)pyrene Specification

  6-Methoxybenzo(a)pyrene , its cas register number is 52351-96-9. It also can be called  3-06-00-03810 (Beilstein Handbook Reference) ; BRN 2468269 . When 6-Methoxybenzo(a)pyrene (CAS NO.52351-96-9) is heated to decomposition, it emits acrid smoke and irritating fumes.

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