Product Name

  • Name

    Trifluoroacetonitrile

  • EINECS 206-542-6
  • CAS No. 353-85-5
  • Article Data85
  • CAS DataBase
  • Density 1.332 g/cm3
  • Solubility
  • Melting Point -144.42°C
  • Formula C2F3N
  • Boiling Point -63.994 °C at 760 mmHg
  • Molecular Weight 95.0239
  • Flash Point -84.9 °C
  • Transport Information
  • Appearance colorless gas
  • Safety 38
  • Risk Codes 26
  • Molecular Structure Molecular Structure of 353-85-5 (Trifluoroacetonitrile)
  • Hazard Symbols VeryT+,ToxicT
  • Synonyms Acetonitrile,trifluoro- (6CI,8CI,9CI);2,2,2-Trifluoroacetonitrile;Cyanotrifluoromethane;Trifluoromethyl cyanide;Trifluoromethylcarbonitrile;
  • PSA 23.79000
  • LogP 1.07228

Trifluoroacetonitrile Specification

The CAS register number of Trifluoroacetonitrile is 353-85-5. It also can be called as Acetonitrile,2,2,2-trifluoro- and the systematic name about this chemical is trifluoroacetonitrile. The molecular formula about this chemical is C2F3N and molecular weight is 95.02. It belongs to the following product categories which include Fluorochemicals; Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents and so on. This chemical is irritating to eyes. In case of insufficient ventilation, wear suitable respiratory equipment.

Physical properties about Trifluoroacetonitrile are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 3.87; (5)ACD/BCF (pH 7.4): 3.87; (6)ACD/KOC (pH 5.5): 91.7; (7)ACD/KOC (pH 7.4): 91.7; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79Å2; (10)Index of Refraction: 1.26; (11)Molar Refractivity: 11.68 cm3; (12)Molar Volume: 71.3 cm3; (13)Polarizability: 4.63x10-24cm3; (14)Surface Tension: 16.4 dyne/cm.

Preparation: this chemical can be prepared by 2,2,2-trifluoro-acηmide. This reaction will need reagent P2O5.

Uses of Trifluoroacetonitrile: it can be used to produce N-Brom-tetrafluor-aethylidenimin. This reaction will need reagent AgF, Br2.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C#N
(2)InChI: InChI=1/C2F3N/c3-2(4,5)1-6
(3)InChIKey: SFFUEHODRAXXIA-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C2F3N/c3-2(4,5)1-6
(5)Std. InChIKey: SFFUEHODRAXXIA-UHFFFAOYSA-N

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