Trifluoroacetic acid | CAS No. 76-05-1

Trifluoroacetic acid

Basic Information

CAS Number

76-05-1

Molecular Formula

C2HF3O2

Molecular Weight

114.02 g/mol

AD

Basic Physical Properties

Melting Point

-15.4°C

Boiling Point

72-73°C

Density

1.4890

Water Solubility

miscible

Solubility

Miscible with ether, acetone, ethanol, benzene, hexane, and CCl<sub>4</sub>

Refractive Index

1.2850

Vapor Pressure

97.5 mmHg ( 20 °C)

OC(=O)C(F)(F)F

InChI

InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

DTQVDTLACAAQTR-UHFFFAOYSA-N

LogP

0.6333

pKa

-0.3(at 25℃)

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

83.4

Safety Information

View Safety Information

GHS Hazard Pictograms

H314H314
H332H332
H412

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with combustible material, strong bases, water, strong oxidizing agents. Non-combustible. Hygroscopic. May react violently with bases.

Sensitiveness

Sensitive to humidity

Toxicity

LD50 i.v. in mice: 1200 mg/kg (Airaksinen, Tammisto)

Synonyms & References

English

  • Trifluoroacetic acid (TFA)
  • TFA
  • Degassed and low oxygen trifluoroacetic acid
  • Trifluoroacetic acid ZerO2®
  • TFA in H2O/ACN
  • Trifluoroacetic acid solution
  • IPC-PFFA-2 (ca. 0.5mol/L in Water)
  • TFA (ca. 0.5mol/L in Water)
  • Trifluoroacetic acid
  • Perfluoroacetic acid
  • Trifluoracetic acid
  • Trifluoroethanoic acid
  • 2,2,2-trifluoroacetic acid
  • Acetic acid, trifluoro-
  • trifluoroaceticacid
  • trifluoro acetic acid
  • trifluoro-acetic acid
  • Kyselina trifluoroctova
  • CF3COOH
  • trifluroacetic acid
  • triflouroacetic acid
  • triflouro acetic acid
  • Kyselina trifluoroctova [Czech]
  • Acetic acid, 2,2,2-trifluoro-
  • water-trifluoroacetic acid
  • UN2699
  • IPC-PFFA-2
  • peptide trifluoroacetic acid
  • B

MDL Number

MFCD00004169

Customs Code

29159080

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