Product Name

  • Name

    (E)-3-(2-furyl)acrylonitrile

  • EINECS
  • CAS No. 6125-63-9
  • Article Data2
  • CAS DataBase
  • Density 1.117 g/cm3
  • Solubility
  • Melting Point 34 °C
  • Formula C7H5NO
  • Boiling Point 216.8 °C at 760 mmHg
  • Molecular Weight 119.123
  • Flash Point 87.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6125-63-9 ((E)-3-(2-furyl)acrylonitrile)
  • Hazard Symbols
  • Synonyms (E)-3-(2-furyl)acrylonitrile;(E)-3-(2-Furanyl)acrylonitrile;(E)-3-(2-Furanyl)propenenitrile;(E)-3-(2-Furyl)-2-propenenitrile;(αE)-2-Furanacrylonitrile;(αE)-Furan-2-acrylonitrile
  • PSA 36.93000
  • LogP 1.81638

(E)-3-(2-furyl)acrylonitrile Specification

The (E)-3-(2-furyl)acrylonitrile is an organic compound with the formula C7H5NO. The systematic name of this chemical is (2E)-3-Furan-2-ylprop-2-enenitrile. With the CAS registry number 6125-63-9, it is also named as 2-Propenenitrile, 3- (2-furanyl)-. The product's category is Heterocyclic Compounds. Besides, its molecular weight is 119.1207.

Physical properties about (E)-3-(2-furyl)acrylonitrile are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 17.66; (5)ACD/BCF (pH 7.4): 17.66; (6)ACD/KOC (pH 5.5): 271.76; (7)ACD/KOC (pH 7.4): 271.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 36.93 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 34.35 cm3; (13)Molar Volume: 106.5 cm3; (14)Polarizability: 13.61×10-24 cm3; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.117 g/cm3; (17)Flash Point: 87.2 °C; (18)Enthalpy of Vaporization: 45.31 kJ/mol; (19)Boiling Point: 216.8 °C at 760 mmHg; (20)Vapour Pressure: 0.138 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C=C\c1occc1
(2)InChI: InChI=1/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+
(3)InChIKey: ZHKAQNFBQHPERX-HNQUOIGGBV
(4)Std. InChI: InChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+
(5)Std. InChIKey: ZHKAQNFBQHPERX-HNQUOIGGSA-N

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