Product Name

  • Name

    2-(OXAZOL-2-YL)ACETONITRILE

  • EINECS
  • CAS No. 809533-78-6
  • Density 1.179 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H4N2O
  • Boiling Point 206.1 °C at 760 mmHg
  • Molecular Weight 108.1
  • Flash Point 78.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 809533-78-6 (2-(OXAZOL-2-YL)ACETONITRILE)
  • Hazard Symbols
  • Synonyms 2-Cyanomethyl-1,3-oxazole;
  • PSA 49.82000
  • LogP 0.74068

2-Oxazoleacetonitrile Specification

The 2-Oxazoleacetonitrile is an organic compound with the formula C5H4N2O. The systematic name of this chemical is 1,3-Oxazol-2-ylacetonitrile. The CAS registry number of this chemical is 809533-78-6. Besides, its molecular weight is 108.1.

Physical properties about 2-Oxazoleacetonitrile are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 15.31; (4)ACD/KOC (pH 7.4): 15.31; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 49.82 Å2; (8)Index of Refraction: 1.481; (9)Molar Refractivity: 26.1 cm3; (10)Molar Volume: 91.6 cm3; (11)Polarizability: 10.34×10-24 cm3; (12)Surface Tension: 47.2 dyne/cm; (13)Density: 1.179 g/cm3; (14)Flash Point: 78.5 °C; (15)Enthalpy of Vaporization: 44.24 kJ/mol; (16)Boiling Point: 206.1 °C at 760 mmHg; (17)Vapour Pressure: 0.241 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
(2)InChIKey: GBVNLARDRLKRNJ-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C5H4N2O/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
(4)Std. InChIKey: GBVNLARDRLKRNJ-UHFFFAOYSA-N

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