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Basic Information
CAS No.: 75410-89-8
Name: (1aS,2R,3S,11dR)-1a,2,3,11d-tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol
Article Data: 2
Molecular Structure:
Molecular Structure of 75410-89-8 ((1aS,2R,3S,11dR)-1a,2,3,11d-tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol)
Formula: C18H14O3
Molecular Weight: 278.307
Density: 1.478g/cm3
Boiling Point: 567.5°Cat760mmHg
Flash Point: 297°C
Safety: Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic and irritating fumes
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Chemistry

Empirical Formula of Benzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aR,2S,3R,11dS)-rel- (CAS NO.75410-89-8): C18H14O3
Molecular Weight: 278.302 
Index of Refraction: 1.814
Density: 1.478 g/cm3
Flash Point: 297 °C
Enthalpy of Vaporization: 89.62 kJ/mol
Boiling Point: 567.5 °C at 760 mmHg
Vapour Pressure: 1.03E-13 mmHg at 25 °C
Structure of Benzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aR,2S,3R,11dS)-rel- (CAS NO.75410-89-8):
                       
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C(C(C5C4O5)O)O
Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)[C@@H]([C@H]([C@H]5[C@@H]4O5)O)O
InChI: InChI=1S/C18H14O3/c19-15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17+,18-/m0/s1
InChIKey: QGMAOLZIDYVIDK-MLHJIOFPSA-N

Toxicity Data With Reference

1.    

mmo-sat 100 pmol/plate

     CNREA8    Cancer Research. 40 (1980),2876.
2.    

msc-ham:lng 200 nmol/L

     CNREA8    Cancer Research. 40 (1980),2876.

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition Benzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aR,2S,3R,11dS)-rel- (CAS NO.75410-89-8) emits toxic and irritating fumes

Specification

 Benzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aR,2S,3R,11dS)-rel- , its cas register number is 75410-89-8. It also can be called BcPhde ; (+-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-1 ; and B(c)PH diol epoxide-1 .