Trifluoroacetic acid (CAS 76-05-1) — formula C2HF3O2, molecular weight 114.02; category organic chemicals.
| CAS Number | 76-05-1 |
|---|---|
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.02 |
| Melting Point | -15.4 °C |
| Boiling Point | 72.4 °C |
| LogP | 0.9 |
| Applications | Uses: Used in synthesis of organic chemicals, [Merck Index] Used as a laboratory reagent, solvent, and catalyst, [HSDB], Strong nonoxidizing acid, laboratory reagent, catalyst, In organic synthesis, dissolves protein when mixed with liquid SO2., Use Classification: PFAS -> Ultra Short Chain PFcarboxylic acids, Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Intermediate, Methods of Manufacturing: 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), U.S. Production: 2023: 1, 000, 000 - <8, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7185], This chemical is listed as an Extended High Production Volume (EHPV). Chemicals listed as EHPV were produced in or imported into the U.S. in >1 million pounds according to the 2002 Toxic Substances Control Act (TSCA) Inventory Update. The EHPV program is a voluntary initiative that allows companies to demonstrate that adequate screening data exist for organic HPV chemicals., General Manufacturing Information: Miscellaneous Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Pharmaceutical and Medicine Manufacturing, Acetic acid, 2, 2-trifluoro-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Used in synthesis of organic chemicals, [Merck Index] Used as a laboratory reagent, solvent, and catalyst, [HSDB], Strong nonoxidizing acid, laboratory reagent, catalyst, In organic synthesis, dissolves protein when mixed with liquid SO2., Use Classification: PFAS -> Ultra Short Chain PFcarboxylic acids, Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Intermediate, Methods of Manufacturing: 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), U.S. Production: 2023: 1, 000, 000 - <8, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7185], This chemical is listed as an Extended High Production Volume (EHPV). Chemicals listed as EHPV were produced in or imported into the U.S. in >1 million pounds according to the 2002 Toxic Substances Control Act (TSCA) Inventory Update. The EHPV program is a voluntary initiative that allows companies to demonstrate that adequate screening data exist for organic HPV chemicals., General Manufacturing Information: Miscellaneous Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Pharmaceutical and Medicine Manufacturing, Acetic acid, 2, 2-trifluoro-: ACTIVE.
Trifluoroacetic acid is a carbon-based organic compound with CAS registry number 76-05-1 and molecular formula C2HF3O2 (molecular weight 114.02), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 76-05-1
Its molecular formula C2HF3O2 comprises 2 C, 1 H, 3 F, 2 O atoms.
Also known as: Trifluoroacetic acid · 三氟乙酸
Category: organic chemicals
The CAS registry number of Trifluoroacetic acid is 76-05-1.
Molecular formula C2HF3O2, molecular weight 114.02.
It is also registered under: Trifluoroacetic acid, 三氟乙酸.
Recorded applications: Uses: Used in synthesis of organic chemicals, [Merck Index] Used as a laboratory reagent, solvent, and catalyst, [HSDB], Strong nonoxidizing acid, laboratory reagent, catalyst, In organic synthesis, dissolves protein when mixed with liquid SO2., Use Classification: PFAS -> Ultra Short Chain PFcarboxylic acids, Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Intermediate, Methods of Manufacturing: 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), U.S. Production: 2023: 1, 000, 000 - <8, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7185], This chemical is listed as an Extended High Production Volume (EHPV). Chemicals listed as EHPV were produced in or imported into the U.S. in >1 million pounds according to the 2002 Toxic Substances Control Act (TSCA) Inventory Update. The EHPV program is a voluntary initiative that allows companies to demonstrate that adequate screening data exist for organic HPV chemicals., General Manufacturing Information: Miscellaneous Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Pharmaceutical and Medicine Manufacturing, Acetic acid, 2, 2-trifluoro-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Trifluoroacetic acid (CAS 76-05-1), compiled from public chemistry databases.
| CAS Registry Number | 76-05-1 |
|---|---|
| PubChem CID | 6422 |
| Molecular formula | C2HF3O2 |
| IUPAC name | 2,2,2-trifluoroacetic acid |
| UNII (FDA) | E5R8Z4G708 |
| 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 |
| 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] |
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
| Reported hazard statements | H314, H332, H412, H290 (23.5%), H302 (23.1%), H318 (48.3%), H331, H360 |
|---|
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
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].
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 三氟乙酸