Trichloroacetic acidProduct ingredient for Trichloroacetate
- Name
- Trichloroacetic acid
- Drug Entry
- Trichloroacetate
Trichloroacetate, or trichloroacetic acid, is a strong acid prepared by the reaction of chlorine with acetic acid in the presence of a suitable catalyst. In clinical chemistry and biochemistry, it is used as a precipitant of macromolecules including proteins, DNA and RNA. Trichloroacetate is also found in cosmetic treatments and topical formulations as a cauterant, which removes condyloma or warts on the skin.
- Accession Number
- DBSALT001528
- Structure
Structure for Trichloroacetic acid (DBSALT001528)
- Synonyms
- Not Available
- UNII
- 5V2JDO056X
- CAS Number
- 76-03-9
- Weight
- Average: 163.387
Monoisotopic: 161.904212397 - Chemical Formula
- C2HCl3O2
- InChI Key
- YNJBWRMUSHSURL-UHFFFAOYSA-N
- InChI
- InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
- IUPAC Name
- trichloroacetic acid
- SMILES
- OC(=O)C(Cl)(Cl)Cl
- External Links
- Human Metabolome Database
- HMDB0042048
- KEGG Compound
- C11150
- ChemSpider
- 10772050
- ChEBI
- 30956
- ChEMBL
- CHEMBL14053
- ZINC
- ZINC000003791092
- Wikipedia
- Trichloroacetic_acid
- Predicted Properties
Property Value Source Water Solubility 2.12 mg/mL ALOGPS logP 1.17 ALOGPS logP 1.53 ChemAxon logS -1.9 ALOGPS pKa (Strongest Acidic) 1.72 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 37.3 Å2 ChemAxon Rotatable Bond Count 1 ChemAxon Refractivity 28.16 m3·mol-1 ChemAxon Polarizability 11.32 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon