Trichloroacetic acid
Properties
- Molecular formula
- C2HCl3O2
- Molar mass
- 163.38 g/mol
- Exact mass
- 161.9042 Da
- Density
- 1.6126 g/mL (at 64 °C)
- Melting point
- 57.5 °C
- Boiling point
- 195.5 °C
- pKa
- 0.51
- Flash point
- 110 °C
- Water solubility
- miscible
- logP
- 1.44Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 607-004-00-7), via PubChem.
Precautionary statements
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, P501
Identifiers
CAS number
76-03-9SMILES
O=C(O)C(Cl)(Cl)ClInChIKey
YNJBWRMUSHSURL-UHFFFAOYSA-NInChI
InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Acetic acid, 2,2,2-trichloro-
- Acetic acid, trichloro-
- 2,2,2-Trichloroacetic acid
- Aceto-caustin
- Amchem grass killer
- TCA (acid)
- Trichloracetic acid
- Trichloroethanoic acid
- TKhUK
- TKhU
- TCA
- NSC 215204
- NSC 77363
- TCAA
Work with Trichloroacetic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar
1,1-Cyclopropanedicarboxylic acid598-10-750 % similar
3-Chloro-2,2,3,3-tetrafluoropropanoic acid661-82-550 % similar
2,2-Dichloropropionic acid75-99-050 % similar
Chlorodifluoroacetic acid76-04-050 % similar
1,1-Cyclobutanedicarboxylic acid5445-51-245 % similar
3-Chloro-2,2-bis(chloromethyl)propanoic acid17831-70-843 % similar
2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.