Product Name

  • Name

    3-(2-CHLOROPHENYL)PROP-2-YN-1-OL

  • EINECS
  • CAS No. 80151-26-4
  • Article Data16
  • CAS DataBase
  • Density 1.26 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H7ClO
  • Boiling Point 281.5 °C at 760 mmHg
  • Molecular Weight 166.607
  • Flash Point 124 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 80151-26-4 (3-(2-CHLOROPHENYL)PROP-2-YN-1-OL)
  • Hazard Symbols IrritantXi
  • Synonyms AKOS PRN-0001;3-(2-CHLOROPHENYL)PROP-2-YN-1-OL;3-(2-Chlorophenyl)-2-propyn-1-ol
  • PSA 20.23000
  • LogP 1.68380

2-Propyn-1-ol,3-(2-chlorophenyl)- Specification

The 2-Propyn-1-ol,3-(2-chlorophenyl)- is an organic compound with the formula C9H7ClO. With the CAS registry number 80151-26-4, the systematic name of this chemical is 3-(2-chlorophenyl)prop-2-yn-1-ol.

Physical properties about 2-Propyn-1-ol,3-(2-chlorophenyl)- are: (1)ACD/LogP: 2.92; (2)ACD/LogD (pH 5.5): 2.92; (3)ACD/LogD (pH 7.4): 2.92; (4)ACD/BCF (pH 5.5): 97.44; (5)ACD/BCF (pH 7.4): 97.44; (6)ACD/KOC (pH 5.5): 922.9; (7)ACD/KOC (pH 7.4): 922.89; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 45.01 cm3; (14)Molar Volume: 131.3 cm3; (15)Polarizability: 17.84×10-24cm3; (16)Surface Tension: 53.5 dyne/cm; (17)Density: 1.26 g/cm3; (18)Flash Point: 124 °C; (19)Enthalpy of Vaporization: 54.96 kJ/mol; (20)Boiling Point: 281.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00168 mmHg at 25°C.

Preparation: this chemical can be prepared by prop-2-yn-1-ol and 1-chloro-2-iodo-benzene. This reaction will need reagent diethylamine and catalyst dichlorobis(triphenylphosphine)palladium(II), copper(I) iodide. The reaction time is 5 hours at ambient temperature.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C#CCO
(2)InChI: InChI=1/C9H7ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,7H2
(3)InChIKey: VPTSXDNZKHJDLN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H7ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,7H2
(5)Std. InChIKey: VPTSXDNZKHJDLN-UHFFFAOYSA-N

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