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33953-73-0

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Basic Information
CAS No.: 33953-73-0
Name: 6-hydroxybenzo(a)pyrene
Article Data: 6
Molecular Structure:
Molecular Structure of 33953-73-0 (6-hydroxybenzo(a)pyrene)
Formula: C20H12 O
Molecular Weight: 268.315
Synonyms: 5-Hydroxy-3,4-benzopyrene;6-Hydroxybenzo[a]pyrene; NSC 30998
Density: 1.379g/cm3
Melting Point: 208°C
Boiling Point: 527.2°Cat760mmHg
Flash Point: 252.9°C
Safety: Questionable carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
PSA: 20.23000
LogP: 5.44280
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Chemistry

IUPAC Name: benzo[a]pyren-6-ol
Synonyms of Benzo(a)pyren-6-ol (CAS NO.33953-73-0): 6-Hydroxybenzo(a)pyrene ; 3-06-00-03810 (Beilstein Handbook Reference) ; 5-Hydroxy-3,4-benzopyrene ; 6-Hydroxybenzo(a)pyrene ; BRN 1982121 ; Benzo(a)pyrene, 6-hydroxy- ; CCRIS 1072 ; NSC 30998
CAS NO: 33953-73-0  
Molecular Formula of Benzo(a)pyren-6-ol (CAS NO.33953-73-0): C20H12O 
Molecular Weight: 268.3087          
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 9.23Å2
Index of Refraction: 1.924
Molar Refractivity: 92.18 cm3
Molar Volume: 194.5 cm3
Surface Tension: 72.9 dyne/cm
Density of Benzo(a)pyren-6-ol (CAS NO.33953-73-0): 1.379 g/cm3
Flash Point: 252.9 °C
Enthalpy of Vaporization: 83.19 kJ/mol
Boiling Point: 527.2 °C at 760 mmHg
Vapour Pressure: 9.85E-12 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

1.    

mma-sat 25 µmol/L

     JBCHA3    Journal of Biological Chemistry. 251 (1976),4882.
2.    

mma-ham:lng 3700 nmol/L

     PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 73 (1976),607.
3.    

mmo-sat 7 µg/plate

     ENMUDM    Environmental Mutagenesis. 7 (1985),839.
4.    

msc-ham:lng 5 mg/L

     CNREA8    Cancer Research. 36 (1976),3350.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

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