三氟乙酸（CAS 76-05-1）：分子式 C2HF3O2、分子量 114.02。
| CAS号 | 76-05-1 |
|---|---|
| 分子式 | C2HF3O2 |
| 分子量 | 114.02 |
| 熔点 | -15.4 °C |
| 沸点 | 72.4 °C |
| LogP | 0.9 |
| 应用领域 | 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 |
登记用途：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。
三氟乙酸 是一种化工化合物，登记 CAS 号为 76-05-1，分子式 C2HF3O2（分子量 114.02）。
登记 CAS 号：76-05-1
其分子式 C2HF3O2 由 2 个碳、1 个氢、3 个氟、2 个氧 组成。
别名/同义词：三氟乙酸 · Trifluoroacetic acid
三氟乙酸 的 CAS 登记号为 76-05-1。
分子式 C2HF3O2，分子量 114.02。
别名/同义词：三氟乙酸、Trifluoroacetic acid。
登记用途：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。
三氟乙酸（CAS 76-05-1）的独立参考数据，整理自公开化学数据库。
| 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].
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Trifluoroacetic acid