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66788-11-2

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Basic Information
CAS No.: 66788-11-2
Name: 9,10,10a,11a-tetrahydrobenzo[8,9]triphenyleno[1,2-b]oxirene
Molecular Structure:
Molecular Structure of 66788-11-2 (9,10,10a,11a-tetrahydrobenzo[8,9]triphenyleno[1,2-b]oxirene)
Formula: C20H14O
Molecular Weight: 270.34
Density: 1.361g/cm3
Boiling Point: 490.3°Cat760mmHg
Flash Point: 234.6°C
Safety: Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
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Chemistry

Empirical Formula of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS NO.66788-11-2): C20H14O
Molecular Weight: 270.3246 
Index of Refraction: 1.852
Density: 1.361 g/cm3
Flash Point: 234.6 °C
Enthalpy of Vaporization: 72.81 kJ/mol
Boiling Point: 490.3 °C at 760 mmHg
Vapour Pressure: 2.77E-09 mmHg at 25 °C
Structure of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS NO.66788-11-2):
                     
Canonical SMILES: C1CC2=C(C3C1O3)C4=CC=CC5=C4C6=C(C=CC=C26)C=C5
InChI: InChI=1S/C20H14O/c1-3-11-7-8-12-4-2-6-15-18(12)17(11)13(5-1)14-9-10-16-20(21-16)19(14)15/h1-8,16,20H,9-10H2
InChIKey: NFOQZWYTHSROKR-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 nmol/plate

     CNREA8    Cancer Research. 40 (1980),1985.
2.    

mma-sat 13 pmol/plate

     JBCHA3    Journal of Biological Chemistry. 254 (1979),4408.
3.    

msc-ham:lng 1100 nmol/L

     CNREA8    Cancer Research. 40 (1980),1985.
4.    

dnd-mam:lym 10 µmol/L

     CRNGDP    Carcinogenesis. 3 (1982),247.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS NO.66788-11-2) emits acrid smoke and fumes.

Specification

 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene , its cas register number is 66788-11-2. It also can be called BRN 6277566 ; B(e)P H4-9,10-Epoxide ; and Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-epoxy- .