Trifluoroacetic acid
TL;DR: Trifluoroacetic acid (CAS 76-05-1) is a chemical compound with molecular formula C2HF3O2 and molecular weight 113.99287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoroacetic acid
Also Known As: Trifluoroacetic acid, Perfluoroacetic acid, Trifluoracetic acid, Trifluoroethanoic acid, trifluoroaceticacid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 113.99287 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.99287 Da |
| Heavy Atoms | 7 |
| Complexity | 83.0 |
| Melting Point | -15.4 °C |
| Boiling Point | 72.4 °C |
| Density | 1.531 at 20 °C |
| Vapor Pressure | 110.0 [mmHg] |
| Refractive Index | Index of refraction: 1.2850 at 20 °C/D |
| Solubility | Miscible with ether, acetone, ethanol, benzene, carbon tetrachloride, hexane. |
| SMILES | C(=O)(C(F)(F)F)O |
| InChIKey | DTQVDTLACAAQTR-UHFFFAOYSA-N |
Product Description
Applications: Trifluoroacetic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trifluoroacetic acid (CAS 76-05-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Trifluoroacetic acid is a heterocyclic building block identified by CAS number 76-05-1 and the molecular formula C2HF3O2 and a molecular weight of 113.99 g/mol. Physically, the compound has a density of 1.531 at 20 °C g/cm³, a solubility: Miscible with ether, acetone, ethanol, benzene, carbon tetrachloride, hexane. It is also known as Trifluoroacetic acid and Perfluoroacetic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Trifluoroacetic acid
Property Insights of Trifluoroacetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoroacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Trifluoroacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trifluoroacetic acid?
The CAS number of Trifluoroacetic acid is 76-05-1.
What is the molecular formula of Trifluoroacetic acid?
The molecular formula of Trifluoroacetic acid is C2HF3O2.
What is the molecular weight of Trifluoroacetic acid?
The molecular weight of Trifluoroacetic acid is 113.99287 g/mol.
What are the applications of Trifluoroacetic acid?
Trifluoroacetic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trifluoroacetic acid (CAS 76-05-1)...
Where can I buy Trifluoroacetic acid?
You can request a quote for Trifluoroacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifluoroacetic acid?
Yes, CoreyChem provides custom synthesis services for Trifluoroacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.