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Basic Information
CAS No.: 37571-88-3
Name: trans-Benzo[a]pyrene-4,5-dihydrodiol
Article Data: 5
Molecular Structure:
Molecular Structure of 37571-88-3 (trans-Benzo[a]pyrene-4,5-dihydrodiol)
Formula: C20H14O2
Molecular Weight: 286.34
Synonyms: 4,5-Dihydro-4,5-dihydroxybenzo(j)fluoranthene;Benzo[j]fluoranthene-8,9-diol,8,9-dihydro;trans-4,5-dihydroxy-4,5-dihydrobenzopyrene;trans-Benzo[a]pyrene-4,5-dihydrodiol;4,5-dihydrobenzo
Density: 1.452g/cm3
Melting Point: 210 °C(Solv: chloroform (67-66-3))
Boiling Point: 566.9°Cat760mmHg
Flash Point: 275.5°C
Safety: Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 40.46000
LogP: 4.22660
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Chemistry

IUPAC Name: (4R,5R)-4,5-Dihydrobenzo[a]pyrene-4,5-diol
Synonyms of trans-4,5-Dihydro-4,5-dihydroxybenzo(a)-pyrene (CAS NO.37571-88-3) : Benzo(a)pyrene-4,5-dihydrodiol, (E)- ; trans-4,5-Dihydro-4,5-dihydroxybenzo(a)pyrene ; trans-Benzo(a)pyrene-4,5-dihydrodiol ; Benzo(a)pyrene, 4,5-dihydro-4,5-dihydroxy-, (E)-
InChI:InChI=1/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20-/m1/s1
CAS NO:37571-88-3
Molecular Formula:C20H14O2
Molecular Weight :286.324
Molecular Structure :
Index of Refraction:1.883
Surface Tension: 74.1 dyne/cm
Density: 1.452 g/cm3
Flash Point: 275.5 °C
Enthalpy of Vaporization: 89.54 kJ/mol
Boiling Point: 566.9 °C at 760 mmHg
Vapour Pressure: 1.09E-13 mmHg at 25°C

Toxicity Data With Reference

1.    

mma-sat 30 mg/L

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

dni-omi 2 mg/L

     PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 74 (1977),1378.
3.    

otr-ham:emb 1 mg/L

     IJCNAW    International Journal of Cancer. 19 (1977),814.
4.    

sce-ham:ovr 8 mg/L

     MUREAV    Mutation Research. 50 (1978),367.
5.    

msc-ham:lng 25 mg/L

     CNREA8    Cancer Research. 36 (1976),3350.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When trans-4,5-Dihydro-4,5-dihydroxybenzo(a)-pyrene (CAS NO.37571-88-3) is heated to decomposition, it emits acrid smoke and irritating fumes.