Product Name

  • Name

    2-(benzenesulfonyloxy)-2-phenyl-acetonitrile

  • EINECS
  • CAS No. 22259-85-4
  • Density 1.308 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H11NO3S
  • Boiling Point 451.2 °C at 760 mmHg
  • Molecular Weight 273.312
  • Flash Point 226.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 22259-85-4 (2-(benzenesulfonyloxy)-2-phenyl-acetonitrile)
  • Hazard Symbols
  • Synonyms Benzenesulfonicacid, a-cyanobenzyl ester (6CI);Mandelonitrile, benzenesulfonate (7CI);Mandelonitrile, benzenesulfonate(ester) (8CI);NSC 51416;a-Cyanobenzylbenzenesulfonate;a-Cyanobenzylphenylsulfonate;2-(benzenesulfonyloxy)-2-phenyl-acetonitrile;
  • PSA 75.54000
  • LogP 3.73758

Benzeneacetonitrile,a-[(phenylsulfonyl)oxy]- Specification

The CAS register number of Benzeneacetonitrile,a-[(phenylsulfonyl)oxy]- is 22259-85-4. It also can be called as 2-(benzenesulfonyloxy)-2-phenyl-acetonitrile and the systematic name about this chemical is cyano(phenyl)methyl benzenesulfonate. The molecular formula about this chemical is C14H11NO3S and the molecular weight is 273.30624.

Physical properties about Benzeneacetonitrile,a-[(phenylsulfonyl)oxy]- are: (1)ACD/LogP: 2.41; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 75.54 Å2; (5)Index of Refraction: 1.597; (6)Molar Refractivity: 71.2 cm3; (7)Molar Volume: 208.9 cm3; (8)Polarizability: 28.22x10-24cm3; (9)Surface Tension: 53.4 dyne/cm; (10)Density: 1.308 g/cm3; (11)Flash Point: 226.7 °C; (12)Enthalpy of Vaporization: 71.02 kJ/mol; (13)Boiling Point: 451.2 °C at 760 mmHg; (14)Vapour Pressure: 2.49E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC(C#N)c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C14H11NO3S/c15-11-14(12-7-3-1-4-8-12)18-19(16,17)13-9-5-2-6-10-13/h1-10,14H
(3)InChIKey: YKDVEHLIKZSIDU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C14H11NO3S/c15-11-14(12-7-3-1-4-8-12)18-19(16,17)13-9-5-2-6-10-13/h1-10,14H
(5)Std. InChIKey: YKDVEHLIKZSIDU-UHFFFAOYSA-N

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