Product Name

  • Name

    4-fluorobenzo[e]thiochromeno[4,3-b]indole

  • EINECS
  • CAS No. 52831-68-2
  • Density 1.39g/cm3
  • Solubility
  • Melting Point
  • Formula C19H10FNS
  • Boiling Point 461.6°C at 760 mmHg
  • Molecular Weight 303.36
  • Flash Point 233°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 52831-68-2 (4-fluorobenzo[e]thiochromeno[4,3-b]indole)
  • Hazard Symbols
  • Synonyms Benzo(e)(1)benzothiopyrano(4,3-b)indole,4-fluoro;4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole;
  • PSA 41.13000
  • LogP 5.84660

4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole Chemical Properties

Product Name: 4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole (CAS NO.52831-68-2)


Molecular Formula: C19H10FNS
Molecular Weight: 303.36g/mol
Mol File: 52831-68-2.mol
Boiling point: 461.6 °C at 760 mmHg
Flash Point: 233 °C
Density: 1.39 g/cm3
Surface Tension: 51.3 dyne/cm
Enthalpy of Vaporization: 69.48 kJ/mol
Vapour Pressure: 2.92E-08 mmHg at 25°C
XLogP3-AA: 5.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole (CAS NO.52831-68-2):
  Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CSC5=C(C4=N3)C=CC=C5F
  InChI: InChI=1S/C19H10FNS/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/h1-10H 
  InChIKey: WPBYMWBPEXGNIY-UHFFFAOYSA-N

4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole Toxicity Data With Reference

1.    

mma-sat 30 µg/plate

     MUREAV    Mutation Research. 66 (1979),307.

4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole Safety Profile

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

4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole Specification

 4-Fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole , its CAS NO. is 52831-68-2, the synonyms are BRN 1134358 ; Benzo(e)(1)benzothiopyrano(4,3-b)indole, 4-fluoro- .

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