Product Name

  • Name

    4-FLUORO-7-METHYL-6H-(1)BENZOTHIO-PYRANO(4,3-b)QUINOLINE

  • EINECS
  • CAS No. 52831-60-4
  • Density 1.318g/cm3
  • Solubility
  • Melting Point
  • Formula C17H12FNS
  • Boiling Point 478.9°Cat760mmHg
  • Molecular Weight 281.36
  • Flash Point 243.4°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−, SOx, and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 52831-60-4 (4-FLUORO-7-METHYL-6H-(1)BENZOTHIO-PYRANO(4,3-b)QUINOLINE )
  • Hazard Symbols
  • Synonyms 4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline;6H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE,4-FLUORO-7-METHYL;
  • PSA 38.19000
  • LogP 4.95500

4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline Chemical Properties

Product Name: 4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline(CAS NO.52831-60-4)


Molecular Formula: C17H12FNS
Molecular Weight: 281.36g/mol
Mol File: 52831-60-4.mol
Boiling point: 478.9 °C at 760 mmHg
Flash Point: 243.4 °C
Density: 1.318 g/cm3
Surface Tension: 56.5 dyne/cm
Enthalpy of Vaporization: 71.47 kJ/mol
Vapour Pressure: 7.18E-09 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline(CAS NO.52831-60-4):
  IUPAC Name: 4-Fluoro-7-methyl-6H-thiochromeno[4,3-b]quinoline
  Canonical SMILES: CC1=C2CSC3=C(C2=NC4=CC=CC=C14)C=CC=C3F
  InChI: InChI=1S/C17H12FNS/c1-10-11-5-2-3-8-15(11)19-16-12-6-4-7-14(18)17(12)20-9-13(10)16/h2-8H,9H2,1H3 
  InChIKey: HWASMIHIGPXHJA-UHFFFAOYSA-N

4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline Toxicity Data With Reference

1.    

mma-sat 100 µg/plate

     MUREAV    Mutation Research. 66 (1979),307.

4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline Safety Profile

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

4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline Specification

 4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline, its CAS NO. is 52831-60-4, the synonyms are BRN 4856433 ; 6H-(1)Benzothiopyrano(4,3-b)quinoline, 4-fluoro-7-methyl-  .

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