Product Name

  • Name

    3-CHLORO-2-FLUORO-6-(TRIFLUOROMETHYL)PHENYLACETONITRILE

  • EINECS
  • CAS No. 261763-16-0
  • Density 1.437 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H4ClF4N
  • Boiling Point 241.4 °C at 760 mmHg
  • Molecular Weight 237.584072
  • Flash Point 99.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 261763-16-0 (3-CHLORO-2-FLUORO-6-(TRIFLUOROMETHYL)PHENYLACETONITRILE)
  • Hazard Symbols
  • Synonyms benzeneacetonitrile, 3-chloro-2-fluoro-6-(trifluoromethyl)-; 3-Chloro-2-fluoro-6-(trifluoromethyl)phenylacetonitrile
  • PSA 23.79000
  • LogP 3.56398

Benzeneacetonitrile,3-chloro-2-fluoro-6-(trifluoromethyl)- Specification

The CAS register number of Benzeneacetonitrile,3-chloro-2-fluoro-6-(trifluoromethyl)- is 261763-16-0. The systematic name about this chemical is [3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile. The molecular formula about this chemical is C9H4ClF4N and the molecular weight is 237.584072.

Physical properties about Benzeneacetonitrile,3-chloro-2-fluoro-6-(trifluoromethyl)- are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 65.23; (5)ACD/BCF (pH 7.4): 65.23; (6)ACD/KOC (pH 5.5): 692.46; (7)ACD/KOC (pH 7.4): 692.46; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 45.58 cm3; (13)Molar Volume: 165.3 cm3; (14)Polarizability: 18.07x10-24cm3; (15)Surface Tension: 31.7 dyne/cm; (16)Density: 1.437 g/cm3; (17)Flash Point: 99.8 °C; (18)Enthalpy of Vaporization: 47.83 kJ/mol; (19)Boiling Point: 241.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0361 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(ccc1Cl)C(F)(F)F)CC#N
(2)InChI: InChI=1/C9H4ClF4N/c10-7-2-1-6(9(12,13)14)5(3-4-15)8(7)11/h1-2H,3H2
(3)InChIKey: WUGOTINVGOAFKL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H4ClF4N/c10-7-2-1-6(9(12,13)14)5(3-4-15)8(7)11/h1-2H,3H2
(5)Std. InChIKey: WUGOTINVGOAFKL-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View