Product Name

  • Name

    Isoxazole, 5-methyl-3-phenyl- (7CI,8CI,9CI)

  • EINECS
  • CAS No. 1008-74-8
  • Article Data46
  • CAS DataBase
  • Density 1.082 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H9NO
  • Boiling Point 282.7 °C at 760 mmHg
  • Molecular Weight 159.188
  • Flash Point 115.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1008-74-8 (Isoxazole, 5-methyl-3-phenyl- (7CI,8CI,9CI))
  • Hazard Symbols
  • Synonyms 5-Methyl-3-phenylisoxazole;NSC 74482;
  • PSA 26.03000
  • LogP 2.65000

Isoxazole,5-methyl-3-phenyl- Specification

The Isoxazole,5-methyl-3-phenyl- is an organic compound with the formula C10H9NO. The IUPAC name of this chemical is 5-methyl-3-phenyl-1,2-oxazole. With the CAS registry number 1008-74-8, it is also named as 5-Methyl-3-phenylisoxazole. The product's category is Oxazole.

Physical properties about Isoxazole,5-methyl-3-phenyl- are: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 2.14; (4)ACD/BCF (pH 5.5): 25.01; (5)ACD/BCF (pH 7.4): 25.01; (6)ACD/KOC (pH 5.5): 348.6; (7)ACD/KOC (pH 7.4): 348.6; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 46.06 cm3; (13)Molar Volume: 147 cm3; (14)Polarizability: 18.25×10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.082 g/cm3; (17)Flash Point: 115.3 °C; (18)Enthalpy of Vaporization: 50.06 kJ/mol; (19)Boiling Point: 282.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00566 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1oc(cc1c2ccccc2)C
(2)InChI: InChI=1/C10H9NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-7H,1H3
(3)InChIKey: UCGIIOJWRLQBRP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-7H,1H3
(5)Std. InChIKey: UCGIIOJWRLQBRP-UHFFFAOYSA-N

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