Product Name

  • Name

    N-(CHLOROACETYL)-3-FLUOROANILINE

  • EINECS
  • CAS No. 350-81-2
  • Article Data39
  • CAS DataBase
  • Density 1.358 g/cm3
  • Solubility
  • Melting Point 121-123 °C
  • Formula C8H7ClFNO
  • Boiling Point 329.2 °C at 760 mmHg
  • Molecular Weight 187.601
  • Flash Point 152.9 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 350-81-2 (N-(CHLOROACETYL)-3-FLUOROANILINE)
  • Hazard Symbols IrritantXi
  • Synonyms Acetanilide,2-chloro-3'-fluoro- (8CI);2-Chloro-N-(3-fluorophenyl)acetamide;N-(Chloroacetyl)-3-fluoroaniline;
  • PSA 29.10000
  • LogP 2.07600

Acetamide,2-chloro-N-(3-fluorophenyl)- Specification

The Acetamide, 2-chloro-N-(3-fluorophenyl)-, with the CAS registry number of 350-81-2, is also known as N-(Chloroacetyl)-3-fluoroaniline and 2-Chloro-3'-fluoroacetanilide. This chemical's molecular formula is C8H7ClFNO and molecular weight is 187.6. What's more, its IUPAC name is 2-Chloro-N-(3-fluorophenyl)acetamide.

Physical properties about Acetamide, 2-chloro-N-(3-fluorophenyl)- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.83; (6)ACD/BCF (pH 7.4): 25.83; (7)ACD/KOC (pH 5.5): 356.81; (8)ACD/KOC (pH 7.4): 356.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 45.36 cm3; (15)Molar Volume: 138.1 cm3; (16)Polarizability: 17.98×10-24 cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 152.9 °C; (20)Enthalpy of Vaporization: 57.17 kJ/mol; (21)Boiling Point: 329.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00018 mmHg at 25 °C; (23)Melting Point: 121-123 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1cccc(F)c1)CCl
(2) InChI: InChI=1/C8H7ClFNO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
(3) InChIKey: BYGYGNMGANLDQP-UHFFFAOYAX

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