Product Name

  • Name

    4-fluoro-6,13-dihydrobenzo[e]thiochromeno[4,3-b]indole

  • EINECS
  • CAS No. 52831-67-1
  • Density 1.411g/cm3
  • Solubility
  • Melting Point
  • Formula C19H12FNS
  • Boiling Point 557.4°Cat760mmHg
  • Molecular Weight 305.38
  • Flash Point 290.9°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 52831-67-1 (4-fluoro-6,13-dihydrobenzo[e]thiochromeno[4,3-b]indole)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-4-fluoro- Chemical Properties


Systematic Name: 4-fluoro-6,13-dihydrobenzo[e]thiochromeno[4,3-b]indole 
Molecular Formula: C19H12FNS
Molecular Weight: 305.368683 g/mol
Canonical SMILES: C1c2c3c4c(ccc3[nH]c2c2cccc(c2S1)F)cccc4
InChI: InChI=1/C19H12FNS/c20-15-7-3-6-13-18-14(10-22-19(13)15)17-12-5-2-1-4-11(12)8-9-16(17)21-18/h1-9,21H,10H2 
XLogP3-AA: 5.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Exact Mass: 305.067448
MonoIsotopic Mass: 305.067448
Topological Polar Surface Area: 15.8
Heavy Atom Count: 22
Complexity: 430
Classification Code: Mutation data,Tumor data
Index of Refraction: 1.795
Molar Refractivity: 92.06 cm3
Molar Volume: 216.3 cm3
Polarizability: 36.49×10-24cm3
Surface Tension: 66 dyne/cm
Density: 1.411 g/cm3
Flash Point: 290.9 °C
Enthalpy of Vaporization: 80.79 kJ/mol
Boiling Point: 557.4 °C at 760 mmHg
Vapour Pressure of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-4-fluoro- (CAS NO.52831-67-1): 6.87E-12 mmHg at 25 °C

Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-4-fluoro- Toxicity Data With Reference

1.    

mma-sat 30 µg/plate

     MUREAV    Mutation Research. 66 (1979),307.

Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-4-fluoro- Safety Profile

Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-4-fluoro- (CAS NO.52831-67-1) emits very toxic fumes of F−, NOx, and SOx.

Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-4-fluoro- Specification

 Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-4-fluoro- (CAS NO.52831-67-1), its Synonym is 6,13-Dihydro-4-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole .

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