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13345-23-8

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Basic Information
CAS No.: 13345-23-8
Name: 1-hydroxybenzo(a)pyrene
Article Data: 7
Molecular Structure:
Molecular Structure of 13345-23-8 (1-hydroxybenzo(a)pyrene)
Formula: C20H12 O
Molecular Weight: 268.315
Synonyms: 1-Hydroxybenzo[a]pyrene
Density: 1.379g/cm3
Boiling Point: 527.2°Cat760mmHg
Flash Point: 252.9°C
Safety: Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 20.23000
LogP: 5.44280
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Chemistry

IUPAC Name: benzo[a]pyren-1-ol 
Synonyms of Benzo(a)pyren-1-ol (CAS NO.13345-23-8): 1-Hydroxybenzo(a)pyrene ; 3-06-00-03808 (Beilstein Handbook Reference) ; BRN 2380732 ; CCRIS 1070
CAS NO: 13345-23-8
Molecular Formula of Benzo(a)pyren-1-ol (CAS NO.13345-23-8): C20H12O 
Molecular Weight: 268.3087 
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 9.23 Å2
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-1-ol (CAS NO.13345-23-8): 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.    

mmo-sat 7 µg/plate

     ENMUDM    Environmental Mutagenesis. 7 (1985),839.
2.    

mma-sat 2500 ng/plate

     BCPCA6    Biochemical Pharmacology. 28 (1979),1615.
3.    

dnd-hmn:fbr 30 µmol/L

     CBINA8    Chemico-Biological Interactions. 41 (1982),155.
4.    

mma-ham:lng 3700 nmol/L

     PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 73 (1976),607.
5.    

msc-ham:lng 15 mg/L

     CNREA8    Cancer Research. 36 (1976),3350.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.