Product Name

  • Name

    5-chloro-3-phenyl-oxazole

  • EINECS
  • CAS No. 3356-89-6
  • Article Data10
  • CAS DataBase
  • Density 1.258 g/cm3
  • Solubility
  • Melting Point 51-52℃
  • Formula C9H6ClNO
  • Boiling Point 314.5 °C at 760 mmHg
  • Molecular Weight 179.606
  • Flash Point 144 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 3356-89-6 (5-chloro-3-phenyl-oxazole)
  • Hazard Symbols
  • Synonyms 3-Phenyl-5-chloroisoxazole;NSC 295879;5-Chloro-3-phenylisoxazole;
  • PSA 26.03000
  • LogP 2.99500

Isoxazole,5-chloro-3-phenyl- Specification

The Isoxazole,5-chloro-3-phenyl- is an organic compound with the formula C9H6ClNO. The IUPAC name of this chemical is 5-chloro-3-phenyl-1,2-oxazole. With the CAS registry number 3356-89-6, it is also named as 3-Phenyl-5-chloroisoxazole.

Physical properties about Isoxazole,5-chloro-3-phenyl- are: (1)ACD/LogP: 2.25; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 26.03 Å2; (5)Index of Refraction: 1.559; (6)Molar Refractivity: 46.13 cm3; (7)Molar Volume: 142.6 cm3; (8)Polarizability: 18.28×10-24cm3; (9)Surface Tension: 42.6 dyne/cm; (10)Density: 1.258 g/cm3; (11)Flash Point: 144 °C; (12)Enthalpy of Vaporization: 53.35 kJ/mol; (13)Boiling Point: 314.5 °C at 760 mmHg; (14)Vapour Pressure: 0.000857 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2onc(c1ccccc1)c2
(2)InChI: InChI=1/C9H6ClNO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
(3)InChIKey: KWVZAEKGUQQYMK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
(5)Std. InChIKey: KWVZAEKGUQQYMK-UHFFFAOYSA-N

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