Product Name

  • Name

    Thiocyanic acid 4-fluorobutyl ester

  • EINECS
  • CAS No. 353-17-3
  • Density 1.075g/cm3
  • Solubility
  • Melting Point
  • Formula C5H8FNS
  • Boiling Point 210.7°Cat760mmHg
  • Molecular Weight 133.20
  • Flash Point 81.2°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx. See also THIOCYANATES and FLUORIDES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 353-17-3 (Thiocyanic acid 4-fluorobutyl ester)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

4-Fluorobutyl thiocyanate Chemical Properties

Molecule structure of 4-Fluorobutyl thiocyanate (CAS NO.353-17-3) :

IUPAC Name: 4-fluorobutyl thiocyanate 
Molecular Weight: 133.187123 g/mol
Molecular Formula: C5H8FNS
Density: 1.075 g/cm3
Boiling Point: 210.7 °C at 760 mmHg
Flash Point: 81.2 °C  
Molar Volume: 123.8 cm3
Polarizability: 13.19*10-24 cm3
Surface Tension: 34.1 dyne/cm 
Enthalpy of Vaporization: 44.7 kJ/mol
Vapour Pressure: 0.19 mmHg at 25 °C
XLogP3: 1.8
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 133.036148
MonoIsotopic Mass: 133.036148
Topological Polar Surface Area: 23.8
Heavy Atom Count: 8
Complexity: 85.7
Canonical SMILES: C(CCSC#N)CF
InChI: InChI=1S/C5H8FNS/c6-3-1-2-4-8-5-7/h1-4H2
InChIKey: WJNNTTIXPJJQJD-UHFFFAOYSA-N

4-Fluorobutyl thiocyanate Toxicity Data With Reference

1.    

ipr-mus LD50:2600 µg/kg

     JACSAT    Journal of the American Chemical Society. 78 (1956),3843.
2.    

scu-mus LD50:2600 µg/kg CLDND*

4-Fluorobutyl thiocyanate Safety Profile

Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx. See also THIOCYANATES and FLUORIDES.

4-Fluorobutyl thiocyanate Specification

 4-Fluorobutyl thiocyanate (CAS NO.353-17-3) is also called Thiocyanic acid 4-fluorobutyl ester .

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