Product Name

  • Name

    2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE

  • EINECS 240-677-1
  • CAS No. 451-81-0
  • Article Data28
  • CAS DataBase
  • Density 1.278g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6ClFO
  • Boiling Point 220.096 ºC at 760 mmHg
  • Molecular Weight 172.586
  • Flash Point 86.911 ºC
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 451-81-0 (2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE)
  • Hazard Symbols
  • Synonyms Acetylchloride, (o-fluorophenyl)- (8CI);2-(2'-Fluorophenyl)acetyl chloride;o-Fluorophenylacetyl chloride;2-Fluorobenzeneacetyl chloride;2-Fluorophenylacetyl chloride;
  • PSA 17.07000
  • LogP 2.13360

2-Fluorophenylacetyl chloride Specification

The Benzeneacetyl chloride,2-fluoro-, with the CAS registry number 451-81-0, is also known as 2-Fluorophenylacetyl chloride. It belongs to Pharmacetical. This chemical's molecular formula is C8H6ClFO and molecular weight is 172.58. What's more, its IUPAC name is called 2-(2-fluorophenyl)acetyl chloride.

Physical properties of Benzeneacetyl chloride,2-fluoro-are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 32; (5)ACD/BCF (pH 7.4): 32; (6)ACD/KOC (pH 5.5): 417; (7)ACD/KOC (pH 7.4): 417; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11) Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 40.675 cm3; (14)Molar Volume: 134.965 cm3; (15)Surface Tension: 37.732 dyne/cm; (16)Density: 1.279 g/cm3; (17)Flash Point: 86.911 °C; (18)Enthalpy of Vaporization:  45.651 kJ/mol; (19)Boiling Point: 220.096 °C at 760 mmHg; (20)Vapour Pressure: 0.115 mmHg at 25°C.

Uses of Benzeneacetyl chloride,2-fluoro-: it can be used to produce 2-(2-fluoro-phenyl)-1-(4-methoxy-phenyl)-ethanone at ambient temperature. It will need reagent aluminum trichloride and solvent dichloromethane with the yield 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=C(C(=C1)CC(=O)Cl)F
(2)InChI: InChI=1S/C8H6ClFO/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4H,5H2
(3)InChIKey: KUMKNGTWQNSAQW-UHFFFAOYSA-N

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