Product Name

  • Name

    2-Fluoro-5-hydroxybenzenecarbonitrile

  • EINECS
  • CAS No. 104798-53-0
  • Article Data4
  • CAS DataBase
  • Density 1.34 g/cm3
  • Solubility
  • Melting Point 111-113 °C
  • Formula C7H4FNO
  • Boiling Point 268.2 °C at 760 mmHg
  • Molecular Weight 137.113
  • Flash Point 116 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 104798-53-0 (2-Fluoro-5-hydroxybenzenecarbonitrile)
  • Hazard Symbols
  • Synonyms 2-Fluoro-5-hydroxybenzenecarbonitrile;2-Fluoro-5-hydroxybenzonitrile 98%;2-Fluoro-5-hydroxybenzonitrile;3-Cyano-4-fluorophenol;Benzonitrile, 2-fluoro-5-hydroxy-
  • PSA 44.02000
  • LogP 1.40298

2-Fluoro-5-hydroxybenzonitrile Specification

The 2-Fluoro-5-hydroxybenzonitrile, with the CAS registry number 104798-53-0, is also known as Benzonitrile, 2-fluoro-5-hydroxy-. This chemical's molecular formula is C7H4FNO and molecular weight is 137.11. What's more, its systematic name is 2-fluoro-5-hydroxybenzonitrile.

Physical properties of 2-Fluoro-5-hydroxybenzonitrile are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 13.44; (6)ACD/BCF (pH 7.4): 12.64; (7)ACD/KOC (pH 5.5): 223.53; (8)ACD/KOC (pH 7.4): 210.19; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.02 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 32.96 cm3; (15)Molar Volume: 102.1 cm3; (16)Polarizability: 13.06×10-24 cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 116 °C; (20)Enthalpy of Vaporization: 52.66 kJ/mol; (21)Boiling Point: 268.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00473 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4,4-difluorocyclohexadienone, hydrocyanic acid; potassium salt at the temperature of 20 °C. It will need solvent dimethylformamide with the reaction time of 30 min. The yield is about 90%.

2-Fluoro-5-hydroxybenzonitrile can be prepared by 4,4-difluorocyclohexadienone and hydrocyanic acid; potassium salt at the temperature of 20 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1O)C#N)F
(2)InChI: InChI=1S/C7H4FNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H
(3)InChIKey: HFLYBTRQFOKYHC-UHFFFAOYSA-N

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