Trichloroacetic Acid
TL;DR: Trichloroacetic Acid (CAS 76-03-9) is a chemical compound with molecular formula C2HCl3O2 and molecular weight 161.9042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trichloroacetic acid
Also Known As: TRICHLOROACETIC ACID, Aceto-caustin, Trichloroacetate, Konesta, Trichloracetic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2HCl3O2 |
| Molecular Weight | 161.9042 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.9042 Da |
| Heavy Atoms | 7 |
| Complexity | 83.0 |
| Melting Point | 135 to 136 °F (NTP, 1992) |
| Boiling Point | 385 to 387 °F at 760 mmHg (NTP, 1992) |
| Density | 1.62 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 230 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 123.8 °F ; 5 mmHg at 168.8 °F (NTP, 1992) |
| Refractive Index | Clear liquid; odor resembling menthol. Specific gravity = 1.373 at 20 °C/4 °C. BP 169 °C. Index of refraction = 1.4507 at 20 °C/D. Miscible with alcohol, ether. /Ethyl ester/ |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| SMILES | C(=O)(C(Cl)(Cl)Cl)O |
| InChIKey | YNJBWRMUSHSURL-UHFFFAOYSA-N |
Product Description
Applications: Trichloroacetic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trichloroacetic Acid (CAS 76-03-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Trichloroacetic Acid is a pharmaceutical intermediate identified by CAS number 76-03-9 and the molecular formula C2HCl3O2 and a molecular weight of 161.9 g/mol. Physically, the compound has a density of 1.62 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992). It is also known as TRICHLOROACETIC ACID and Aceto-caustin.
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 Trichloroacetic Acid
Property Insights of Trichloroacetic Acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichloroacetic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, Trichloroacetic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloroacetic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trichloroacetic Acid?
The CAS number of Trichloroacetic Acid is 76-03-9.
What is the molecular formula of Trichloroacetic Acid?
The molecular formula of Trichloroacetic Acid is C2HCl3O2.
What is the molecular weight of Trichloroacetic Acid?
The molecular weight of Trichloroacetic Acid is 161.9042 g/mol.
What are the applications of Trichloroacetic Acid?
Trichloroacetic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trichloroacetic Acid (CAS 76-03-9)...
Where can I buy Trichloroacetic Acid?
You can request a quote for Trichloroacetic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trichloroacetic Acid?
Yes, CoreyChem provides custom synthesis services for Trichloroacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.