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Basic Information
CAS No.: 52833-75-7
Name: 4-(trifluoromethyl)-6,13-dihydrobenzo[e]thiochromeno[4,3-b]indole
Molecular Structure:
Molecular Structure of 52833-75-7 (4-(trifluoromethyl)-6,13-dihydrobenzo[e]thiochromeno[4,3-b]indole)
Formula: C20H12F3NS
Molecular Weight: 355.39
Synonyms: 4-TRIFLUOROMETHYL-6H-BENZO(E)(1)BENZO-THIOPYRANO(4,3-B)INDOLE;
Density: 1.446g/cm3
Boiling Point: 556.7°Cat760mmHg
Flash Point: 290.5°C
Safety: Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx.
PSA: 41.09000
LogP: 6.61260
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Chemistry

Molecular structure of 4-Trifluoromethyl-6H-benzo(e)(1)benzothiopyrano(4,3-b)indole (CAS NO.52833-75-7) is:

Product Name: 4-Trifluoromethyl-6H-benzo(e)(1)benzothiopyrano(4,3-b)indole
CAS Registry Number: 52833-75-7
Molecular Weight: 355.37619 [g/mol]
Molecular Formula: C20H12F3NS
XLogP3-AA: 5.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Surface Tension: 54.3 dyne/cm
Density: 1.446 g/cm3
Flash Point: 290.5 °C
Enthalpy of Vaporization: 80.71 kJ/mol
Boiling Point: 556.7 °C at 760 mmHg
Vapour Pressure: 7.34E-12 mmHg at 25°C
Classification Code: Tumor data

Toxicity Data With Reference

1.    

scu-mus TDLo:92 mg/kg/9W-I:NEO

     MUREAV    Mutation Research. 66 (1979),307.

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx.

Specification

 4-Trifluoromethyl-6H-benzo(e)(1)benzothiopyrano(4,3-b)indole , its cas register number is 52833-75-7. It also can be called BRN 1166712 ; 6H-Benzo(e)(1)benzothiopyrano(4,3-b)indole, 4-trifluoromethyl- .