Product Name

  • Name

    3-(Benzoxazol-2-yl)benzyl alcohol

  • EINECS
  • CAS No. 65540-83-2
  • Article Data3
  • CAS DataBase
  • Density 1.261 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H11NO2
  • Boiling Point 385.759 °C at 760 mmHg
  • Molecular Weight 225.247
  • Flash Point 187.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 65540-83-2 (3-(Benzoxazol-2-yl)benzyl alcohol)
  • Hazard Symbols
  • Synonyms Benzenemethanol, 3-(2-benzoxazolyl)-;
  • PSA 46.26000
  • LogP 2.98710

3-(Benzoxazol-2-yl)benzyl alcohol Specification

The 3-(Benzoxazol-2-yl)benzyl alcohol, with the CAS registry number 65540-83-2, is also known as Benzenemethanol, 3-(2-benzoxazolyl)-. This chemical's molecular formula is C14H11NO2 and molecular weight is 225.2426. What's more, its systematic name is [3-(1, 3-Benzoxazol-2-yl)phenyl]methanol.

Physical properties about 3-(Benzoxazol-2-yl)benzyl alcohol are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 83; (6)ACD/BCF (pH 7.4): 83; (7)ACD/KOC (pH 5.5): 823; (8)ACD/KOC (pH 7.4): 823; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 65.53 cm3; (15)Molar Volume: 178.669 cm3; (16)Polarizability: 25.978×10-24 cm3; (17)Surface Tension: 54.806 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 187.1 °C; (20)Enthalpy of Vaporization: 66.936 kJ/mol; (21)Boiling Point: 385.759 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cccc(c1)c2nc3ccccc3o2
(2) InChI: InChI=1/C14H11NO2/c16-9-10-4-3-5-11(8-10)14-15-12-6-1-2-7-13(12)17-14/h1-8,16H,9H2
(3) InChIKey: ISXYEFBBGCZMAE-UHFFFAOYAS

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View