Product Name

  • Name

    2-ETHOXYPHENYLACETONITRILE

  • EINECS
  • CAS No. 74205-51-9
  • Article Data3
  • CAS DataBase
  • Density 1.032 g/cm3
  • Solubility
  • Melting Point 32-34°C
  • Formula C10H11NO
  • Boiling Point 269.3 °C at 760 mmHg
  • Molecular Weight 161.203
  • Flash Point 112.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 74205-51-9 (2-ETHOXYPHENYLACETONITRILE)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Ethoxybenzylcyanide;(2-ethoxyphenyl)acetonitrile;benzeneacetonitrile, 2-ethoxy-;
  • PSA 33.02000
  • LogP 2.15138

2-Ethoxyphenylacetonitrile Specification

The Benzeneacetonitrile,2-ethoxy-, with the CAS registry number 74205-51-9, has the systematic name of (2-ethoxyphenyl)acetonitrile. It belongs to the product category of Aromatic Nitriles. And the molecular formula of the chemical is C10H11NO.

The characteristics of Benzeneacetonitrile,2-ethoxy- are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.25; (6)ACD/BCF (pH 7.4): 16.25; (7)ACD/KOC (pH 5.5): 256.01; (8)ACD/KOC (pH 7.4): 256.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 47.02 cm3; (15)Molar Volume: 156.1 cm3; (16)Polarizability: 18.64×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.032 g/cm3; (19)Flash Point: 112.8 °C; (20)Enthalpy of Vaporization: 50.74 kJ/mol; (21)Boiling Point: 269.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00732 mmHg at 25°C.  

Uses of Benzeneacetonitrile,2-ethoxy-: It can react with 1,4-dibromo-butane to produce 1-(2-ethoxy-phenyl)-cyclopentanecarbonitrile. This reaction will need reagent NaOH. The reaction time is 12 hours with temperature of 110-120°C, and the yield is about 50.6%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CCc1ccccc1OCC
(2)InChI: InChI=1/C10H11NO/c1-2-12-10-6-4-3-5-9(10)7-8-11/h3-6H,2,7H2,1H3
(3)InChIKey: XXLCVIZGVFWXFL-UHFFFAOYAF

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