Trifluoroacetyl chloride
TL;DR: Trifluoroacetyl chloride (CAS 354-32-5) is a chemical compound with molecular formula C2ClF3O and molecular weight 131.95898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoroacetyl chloride
Also Known As: Trifluoroacetyl chloride, 2,2,2-trifluoroacetyl chloride, Perfluoroacetyl chloride, TFA chloride, CF3COCl
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2ClF3O |
| Molecular Weight | 131.95898 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.95898 Da |
| Heavy Atoms | 7 |
| Complexity | 85.0 |
| Boiling Point | -27 °C |
| Density | 1.384 g/mL at 20 °C |
| Vapor Pressure | 72 psia at 25 °C (3273 mm Hg) |
| Solubility | Exothermic reaction with water to form water soluble trifluoroacetic acid and byproduct HCl. |
| SMILES | C(=O)(C(F)(F)F)Cl |
| InChIKey | PNQBEPDZQUOCNY-UHFFFAOYSA-N |
Product Description
Applications: Trifluoroacetyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Trifluoroacetyl chloride (CAS 354-32-5) is a heterocyclic building block with the molecular formula C2ClF3O and a molecular weight of 131.96 g/mol. Key physical properties include a density of 1.384 g/mL at 20 °C g/cm³, a solubility: Exothermic reaction with water to form water soluble trifluoroacetic acid and byproduct HCl. Synonyms include Trifluoroacetyl chloride and 2,2,2-trifluoroacetyl chloride.
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 Trifluoroacetyl chloride
Property Insights of Trifluoroacetyl chloride
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoroacetyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, Trifluoroacetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetyl chloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trifluoroacetyl chloride?
The CAS number of Trifluoroacetyl chloride is 354-32-5.
What is the molecular formula of Trifluoroacetyl chloride?
The molecular formula of Trifluoroacetyl chloride is C2ClF3O.
What is the molecular weight of Trifluoroacetyl chloride?
The molecular weight of Trifluoroacetyl chloride is 131.95898 g/mol.
What are the applications of Trifluoroacetyl chloride?
Trifluoroacetyl chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy Trifluoroacetyl chloride?
You can request a quote for Trifluoroacetyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifluoroacetyl chloride?
Yes, CoreyChem provides custom synthesis services for Trifluoroacetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.