ChemSpider 2D Image | 2,2,2-Trifluoroethanol | C2H3F3O

2,2,2-Trifluoroethanol

  • Molecular FormulaC2H3F3O
  • Average mass100.040 Da
  • Monoisotopic mass100.013596 Da
  • ChemSpider ID21106169

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,2,2-Trifluorethanol [German] [ACD/IUPAC Name]
2,2,2-trifluoroethan-1-ol
2,2,2-Trifluoroethanol [ACD/IUPAC Name] [Wiki]
2,2,2-Trifluoroéthanol [French] [ACD/IUPAC Name]
75-89-8 [RN]
CF3CH2OH [Formula]
Ethanol, 2,2,2-trifluoro- [ACD/Index Name]
Trifluoroethyl alcohol
2,2,2-Trifluoroethan-1-ol 99%
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

326747_SIAL [DBID]
91683_FLUKA [DBID]
96924_FLUKA [DBID]
MFCD00004672 [DBID]
NSC 451 [DBID]
T63002_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      liquid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Flammable - note wide explosion limits. Moisturesensitive. Incompatible with strong oxidizing agents, strong acids,sodium, potassium. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 240 mg kg-1, SKN-RAT LD50 1680 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      10-20/21/22-37/38-41 Alfa Aesar A10788, L16898
      3 Alfa Aesar A10788, L16898
      9-23-26-36/37/39-60 Alfa Aesar A10788, L16898
      Danger Alfa Aesar A10788, L16898
      DANGER: FLAMMABLE, POISON, severe irritant Alfa Aesar A10788, L16898
      DANGER: POISON, FLAMMABLE, causes CNS injury Alfa Aesar A10788
      Flammable/Harmful/Irritenat/Store under Argon/Moisture Sensitive SynQuest 2101-3-03, 26730
      H301-H311-H318-H226-H332-H315-H335 Alfa Aesar A10788, L16898
      P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar A10788, L16898
      R10,R20/21/22,R36/37/38 SynQuest 2101-3-03, 26730
      S16,S23,S24/25,S33,S36/37/39,S45 SynQuest 2101-3-03, 26730
      Safety glasses, good ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      XI,T,F Abblis Chemicals AB1010861
  • Gas Chromatography
    • Retention Index (Kovats):

      297 (estimated with error: 89) NIST Spectra mainlib_118716, replib_1129, replib_230382
    • Retention Index (Normal Alkane):

      437 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 75898; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      441 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 75898; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56.) NIST Spectra nist ri
      1135 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column type: Capillary; CAS no: 75898; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 240, 1982, 423-444.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 74.0±0.0 °C at 760 mmHg
Vapour Pressure: 77.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.8±6.0 kJ/mol
Flash Point: 29.4±0.0 °C
Index of Refraction: 1.282
Molar Refractivity: 13.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 38.08
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 38.08
Polar Surface Area: 20 Å2
Polarizability: 5.3±0.5 10-24cm3
Surface Tension: 16.5±3.0 dyne/cm
Molar Volume: 75.4±3.0 cm3

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