ChemSpider 2D Image | Trifluoroacetic anhydride | C4F6O3

Trifluoroacetic anhydride

  • Molecular FormulaC4F6O3
  • Average mass210.031 Da
  • Monoisotopic mass209.975159 Da
  • ChemSpider ID21106178

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate
206-982-9 [EINECS]
407-25-0 [RN]
Anhydride trifluoroacétique [French] [ACD/IUPAC Name]
Perfluoroacetic anhydride
TFAA
Trifluoressigsäureanhydrid [German] [ACD/IUPAC Name]
Trifluoroacetic acid anhydride
Trifluoroacetic anhydride [ACD/IUPAC Name] [Wiki]
Trifluoroacetyl anhydride
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5ENA87IZHT [DBID]
AJ9800000 [DBID]
MFCD00000416 [DBID]
UNII:5ENA87IZHT [DBID]
106232_SIAL [DBID]
33164_SUPELCO [DBID]
33165U_SUPELCO [DBID]
91719_FLUKA [DBID]
BRN 0746197 [DBID]
NSC 96965 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      colourless liquid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable, but moisture sensitive. Reacts with waterto liberate hydrogen (flammable!). Incompatible with water,strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 100 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      14-20-35-52/53 Alfa Aesar A13614
      20-26-36/37/39-45-60 Alfa Aesar A13614
      35 Alfa Aesar A13614
      3-8-9-20-23-26-30-36/37/39-45-60-61 Alfa Aesar A13614
      8 Alfa Aesar A13614
      Danger Alfa Aesar A13614
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A13614
      H314-H332-H412-EUH014 Alfa Aesar A13614
      P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501a Alfa Aesar A13614
      Safety glasses, gloves, good ventilation. Keep dry. OU Chemical Safety Data (No longer updated) More details
  • Gas Chromatography

    • Retention Index (Kovats):

      391 (estimated with error: 89) NIST Spectra mainlib_152804

    • Retention Index (Normal Alkane):

      515 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 60 C; End T: 240 C; End time: 0 min; Start time: 0 min; CAS no: 407250; Active phase: OV-101; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Rodin, A.A., Gas Chromatographic One-Step Determination of Number of Hydroxyl Groups in Polyphenols with Mixed Derivatization Reagents, Zh. Anal. Khim. (Rus.), 57(7), 2002, 732-736, In original 732-736., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 407250; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Encyclopedia of Chromatography. Derivatization of Amines, Amino Acids, Amides and Imides for GC Analysis, Marcel Dekker, Inc, New York - Basel, 2001, 224.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 39.5±0.0 °C at 760 mmHg
Vapour Pressure: 438.6±0.0 mmHg at 25°C
Enthalpy of Vaporization: 28.4±3.0 kJ/mol
Flash Point: -26.1±20.8 °C
Index of Refraction: 1.291
Molar Refractivity: 23.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.35
ACD/KOC (pH 5.5): 279.37
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.35
ACD/KOC (pH 7.4): 279.37
Polar Surface Area: 43 Å2
Polarizability: 9.2±0.5 10-24cm3
Surface Tension: 19.3±3.0 dyne/cm
Molar Volume: 127.9±3.0 cm3

Click to predict properties on the Chemicalize site


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