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57404-88-3

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Basic Information
CAS No.: 57404-88-3
Name: TRANS-7,8-DIHYDROXY-7,8-DIHYDRO-BENZO(A)PYRENE
Article Data: 8
Molecular Structure:
Molecular Structure of 57404-88-3 (TRANS-7,8-DIHYDROXY-7,8-DIHYDRO-BENZO(A)PYRENE)
Formula: C20H14 O2
Molecular Weight: 286.33
Synonyms: Benzo[a]pyrene-7,8-diol,7,8-dihydro-, trans-; (?à)-trans-7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene; (?à)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene;Benzo[a]pyrene-trans-7,8-dihydrodiol;trans-7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene;trans-7,8-Dihydrobenzo[a]pyrene-7,8-diol;trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene;trans-Benzo[a]pyrene-7,8-dihydrodiol
Density: 1.46g/cm3
Boiling Point: 553.3°Cat760mmHg
Flash Point: 268.6°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 40.46000
LogP: 4.00510
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Chemistry

IUPAC Name: (7S,8S)-7,8-Dihydrobenzo[a]pyrene-7,8-diol
Synonyms of trans-7,8-Dihydro-7,8-dihydroxybenzo(a)-pyrene (CAS NO.57404-88-3) : (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol ; Benzo(a)pyrene-7,8-dihydrodiol, (E)- ; Benzo(a)pyrene-trans-7,8-diol ; trans-7,8-Dihydroxy-7,8-dihydro-benzo(a)pyrene ; trans-Benzo(a)pyrene-7,8-dihydrodiol
InChI: InChI=1/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20+/m0/s1 Copy
CAS NO:57404-88-3
Molecular Formula:C20H14O2
Molecular Weight :286.324
Molecular Structure :
Index of Refraction: 1.911
Surface Tension: 76.9 dyne/cm
Density: 1.46 g/cm3
Flash Point: 268.6 °C
Enthalpy of Vaporization: 87.77 kJ/mol
Boiling Point: 553.3 °C at 760 mmHg
Vapour Pressure: 4.47E-13 mmHg at 25°C
 

Toxicity Data With Reference

1.    

mma-sat 1 µg/plate

     CRNGDP    Carcinogenesis. 6 (1985),1235.
2.    

hma-mus/sat 100 mg/kg

     MUREAV    Mutation Research. 156 (1985),163.
3.    

sce-ham:ovr 500 µg/L

     MUREAV    Mutation Research. 50 (1978),367.

Safety Profile

Mutation data reported. When trans-7,8-Dihydro-7,8-dihydroxybenzo(a)-pyrene (CAS NO.57404-88-3) is heated to decomposition ,it emits acrid smoke and irritating fumes.