Product Name

  • Name

    TRIFLUOROMETHANE-D

  • EINECS
  • CAS No. 558-22-5
  • Article Data24
  • CAS DataBase
  • Density 1.149 g/cm3
  • Solubility
  • Melting Point
  • Formula CDF3
  • Boiling Point
  • Molecular Weight 71.0062
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 558-22-5 (TRIFLUOROMETHANE-D)
  • Hazard Symbols
  • Synonyms Fluoroform;
  • PSA 0.00000
  • LogP 1.17850

Methane-d, trifluoro-(7CI,8CI,9CI) Specification

The Methane-d, trifluoro-(7CI,8CI,9CI), with the CAS registry number of 558-22-5, is also known as Fluoroform. Its molecular formula is CDF3 and molecular weight is 71.02. What's more,  its systematic name is Trifluoro(2H)methane.

Physical properties about the Methane-d, trifluoro-(7CI,8CI,9CI) are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 43.68; (8)ACD/KOC (pH 7.4): 43.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.179; (14)Molar Refractivity: 7.13 cm3; (15)Molar Volume: 61.7 cm3; (16)Surface Tension: 6.2 dyne/cm; (17)Density: 1.149 g/cm3; (18)Enthalpy of Vaporization: 17.17 kJ/mol; (19)Vapour Pressure: 25200 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C(F)(F)F
(2) InChI: InChI=1/CHF3/c2-1(3)4/h1H/i1D
(3) InChIKey: XPDWGBQVDMORPB-MICDWDOJEN.

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