Product Name

  • Name

    1-(4-FLUORO-PHENYL)-CYCLOPROPANECARBONITRILE

  • EINECS
  • CAS No. 97009-67-1
  • Article Data14
  • CAS DataBase
  • Density 1.18 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H8FN
  • Boiling Point 268.7 °C at 760 mmHg
  • Molecular Weight 161.179
  • Flash Point 111.8 °C
  • Transport Information
  • Appearance
  • Safety 26-39
  • Risk Codes 41
  • Molecular Structure Molecular Structure of 97009-67-1 (1-(4-FLUORO-PHENYL)-CYCLOPROPANECARBONITRILE)
  • Hazard Symbols Xi
  • Synonyms 1-(4-Fluorophenyl)cyclopropanecarbonitrile;1-(4-Fluorophenyl)cyclopropylnitrile;
  • PSA 23.79000
  • LogP 2.38088

1-(4-Fluorophenyl)cyclopropanecarbonitrile Specification

The 1-(4-Fluorophenyl)cyclopropanecarbonitrile with its cas register number is 97009-67-1. It also can be called as Cyclopropanecarbonitrile,1-(4-fluorophenyl)- and the Systematic name about this chemical is 1-(4-fluorophenyl)cyclopropanecarbonitrile.

Physical properties about 1-(4-Fluorophenyl)cyclopropanecarbonitrile are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.48; (5)ACD/BCF (pH 7.4): 9.48; (6)ACD/KOC (pH 5.5): 174.11; (7)ACD/KOC (pH 7.4): 174.11; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 43.29 cm3; (13)Molar Volume: 136 cm3; (14)Polarizability: 17.16x10-24cm3; (15)Surface Tension: 42.4 dyne/cm; (16)Enthalpy of Vaporization: 50.68 kJ/mol; (17)Vapour Pressure: 0.00755 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C2(C#N)CC2
(2)InChI: InChI=1/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2 
(3)InChIKey: MFNQFDZHIVUCOX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
(5)Std. InChIKey: MFNQFDZHIVUCOX-UHFFFAOYSA-N

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