三氟乙酸

Description

Trifluoroacetic acid · CAS 76-05-1 · C2HF3O2. UNII E5R8Z4G708. Boiling Point: 72.4 °C; Boiling Point: 72 °C; Boiling Point: 71.1 °C @760 [mm Hg].

Identification

CAS Registry Number	76-05-1
PubChem CID	6422
Molecular formula	C2HF3O2
IUPAC name	2,2,2-trifluoroacetic acid
UNII (FDA)	E5R8Z4G708

Computed Descriptors

Molecular Weight	114.02
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	113.99286376
Monoisotopic Mass	113.99286376
Topological Polar Surface Area	37.3
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	72.4 °C
Boiling Point	72 °C
Boiling Point	71.1 °C @760 [mm Hg]
Melting Point	-15.4 °C
Melting Point	-15 °C
Melting Point	-15.25 °C
Solubility	1000 mg/mL at 20 °C
Density	1.531 at 20 °C
Density	1.535 @25 °C
Vapor Pressure	110.0 [mmHg]

Physical description & handling notes

• Trifluoroacetic acid appears as a colorless fuming liquid with a pungent odor. Soluble in water and denser than water. Corrosive to skin, eyes and mucous membranes. Used to make other chemicals and as a solvent.
• Liquid
• Colorless fuming liquid with a pungent odor; [ICSC] Hygroscopic; [HSDB]
• FUMING COLOURLESS LIQUID WITH PUNGENT ODOUR.
• Colorless, fuming liquid; hygroscopic
• Sharp biting odor

GHS Hazard Classification

Reported hazard statements	H314, H332, H412, H290 (23.5%), H302 (23.1%), H318 (48.3%), H331, H360

Documented Uses

• Used in synthesis of organic chemicals; [Merck Index] Used as a laboratory reagent, solvent, and catalyst; [HSDB]
• Strong nonoxidizing acid, laboratory reagent, solvent, catalyst
• In organic synthesis; dissolves protein when mixed with liquid SO2.
• PFAS -> Ultra Short Chain PFcarboxylic acids
• Trifluoroacetic acid has been prepared by the electrochemical fluorination of acetyl chloride or acetic anhydride in anhydrous hydrogen fluoride using the Simons process ... followed by hydrolysis of the resulting trifluoroacetyl fluoride.
• Preparation: ... A. L. Henne, US 2371757 (1945 to du Pont)

Synonyms

Trifluoroacetic acid; 76-05-1; Perfluoroacetic acid; 2,2,2-trifluoroacetic acid; Trifluoracetic acid; Trifluoroethanoic acid; Acetic acid, trifluoro-; Kyselina trifluoroctova; Acetic acid, 2,2,2-trifluoro-; Trifluoressigsaeure; BRN 0742035; acide trifluoroacetique; DTXSID9041578; E5R8Z4G708; NSC-77366; CHEMBL506259

Frequently Asked Questions

What are the CAS number and molecular formula of Trifluoroacetic acid?

CAS 76-05-1; molecular formula C2HF3O2; molecular weight — g/mol.

What other names is Trifluoroacetic acid known by?

Trifluoroacetic acid, 76-05-1, Perfluoroacetic acid, 2,2,2-trifluoroacetic acid, Trifluoracetic acid, Trifluoroethanoic acid.

Is Trifluoroacetic acid classified as hazardous?

Hazard statements reported: H314, H332, H412, H290, H302.

What are the key physical properties of Trifluoroacetic acid?

Boiling Point: 72.4 °C; Boiling Point: 72 °C; Boiling Point: 71.1 °C @760 [mm Hg]; Melting Point: -15.4 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.