Product Name

  • Name

    2,3,4-Trifluorobenzonitrile

  • EINECS -0
  • CAS No. 143879-80-5
  • Article Data1
  • CAS DataBase
  • Density 1.37 g/cm3
  • Solubility
  • Melting Point 95-99C
  • Formula C7H2F3N
  • Boiling Point 183.6 °C at 760 mmHg
  • Molecular Weight 157.095
  • Flash Point 64.8 °C
  • Transport Information
  • Appearance clear slightly yellow to light brown liquid
  • Safety 36/37/39-26
  • Risk Codes 36/37/38-20/21/22
  • Molecular Structure Molecular Structure of 143879-80-5 (2,3,4-Trifluorobenzonitrile)
  • Hazard Symbols IrritantXi,ToxicT,HarmfulXn
  • Synonyms 2,3,4-TRIFLUOROBENZONITRILE;Benzonitrile, 2,3,4-trifluoro- (9CI);3-flurobenzoyl chloride;2,3,4-Trifluorobenzonitrile 98%;2,3,4-Trifluorobenzonitrile98%
  • PSA 23.79000
  • LogP 1.97558

2,3,4-Trifluorobenzonitrile Specification

The Benzonitrile,2,3,4-trifluoro- with the CAS number 143879-80-5 ia also called 2,3,4-Trifluorobenzonitrile. Its molecular formula is C7H2F3N. This chemical belongs to the following product categories: (1)Halide; (2)Fluorobenzene Series; (3)Fine Chemical & Intermediates; (4)Fluorobenzene; (5)Nitrile.

The properties of the Benzonitrile,2,3,4-trifluoro- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.96; (6)ACD/BCF (pH 7.4): 4.96; (7)ACD/KOC (pH 5.5): 109.5; (8)ACD/KOC (pH 7.4): 109.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 31.65 cm3; (15)Molar Volume: 114.6 cm3; (16)Polarizability: 12.55×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Enthalpy of Vaporization: 41.98 kJ/mol; (19)Vapour Pressure: 0.765 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C#N)c(F)c1F
(2)InChI: InChI=1/C7H2F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
(3)InChIKey: KTPHYLJFAZNALV-UHFFFAOYAX

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