Chloroacetic Acid
Chloroacetic synonyms
Acidomonocloroacetico; Monochloroethanoic acid; Monochloroacetic acid, solution; Monochloorazijnzuur [Dutch]; Chloroacetic acid, molten [UN3250] [Poison]; Kyselina chloroctova [Czech]; Chloroacetic acid solution; Chloroacetic acid, solid; Monochloorazijnzuur; Acide chloracetique [ISO-French]; Monochloracetic acid
Graphical representations:
View large 3D structure
Molecular Formula: C2H3O2Cl
Natural Isotopic Abundance Mass: 94.49702
Mono-Isotopic Molecular Masses:
- C12N14: 93.9821570505
- C13N14: 95.9888667261
- C12N15: 93.9821570505
- C13N15: 95.9888667261
InChI string: InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
PubChem Compound (CID): 300CAS Registry number: 79-11-8 3926-62-3
Sigma-Aldrich: C19627_ALDRICH
ChEBI: CHEBI:27869
ChemBank: NCIOpen2_002217
HSDB: 939
ChemIDplus: 000079118
Caswell No.: 179B
ChemSpider: 16127826
EINECS: 201-178-4
CCRIS: 2117
NMRShiftDB: 20068567
DTP/NCI: 142
EPA Pesticide Chemical Code: 279400
EPA DSSTox: 901
KEGG Compound ID: C06755
NCGC: NCGC00091473-01
ChemDB: 4953986
Beilstein Handbook Reference: 4-02-00-00474
NIST Chemistry WebBook: 4171038827
MMCD: cq_03901
MDL: MFCD00002683
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)