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CHEBI:27869 - chloroacetic acid
| Formula | C2H3ClO2 |
| Net Charge | 0 |
| Average Mass | 94.497 |
| Monoisotopic Mass | 93.98216 |
| SMILES | O=C(O)CCl |
| InChI | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) |
| InChIKey | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. |
| Application: | herbicide A substance used to destroy plant pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chloroacetic acid (CHEBI:27869) has functional parent acetic acid (CHEBI:15366) |
| chloroacetic acid (CHEBI:27869) has role alkylating agent (CHEBI:22333) |
| chloroacetic acid (CHEBI:27869) has role herbicide (CHEBI:24527) |
| chloroacetic acid (CHEBI:27869) is a chlorocarboxylic acid (CHEBI:36685) |
| chloroacetic acid (CHEBI:27869) is a haloacetic acid (CHEBI:16277) |
| chloroacetic acid (CHEBI:27869) is conjugate acid of chloroacetate (CHEBI:23123) |
| Incoming Relation(s) |
| N-(2-ethyl-6-methylphenyl)-2-chloroacetamide (CHEBI:136494) has functional parent chloroacetic acid (CHEBI:27869) |
| N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has functional parent chloroacetic acid (CHEBI:27869) |
| N-[(5-acetyl-3-thienyl)methyl]-2-chloroacetamide semicarbazone (CHEBI:75056) has functional parent chloroacetic acid (CHEBI:27869) |
| chloroacetate (CHEBI:23123) is conjugate base of chloroacetic acid (CHEBI:27869) |
| chloroacetyl group (CHEBI:60669) is substituent group from chloroacetic acid (CHEBI:27869) |
| IUPAC Name |
|---|
| chloroacetic acid |
| Synonyms | Source |
|---|---|
| Chloroacetic acid | KEGG COMPOUND |
| Chloroethanoic acid | KEGG COMPOUND |
| chloracetic acid | NIST Chemistry WebBook |
| monochloroethanoic acid | NIST Chemistry WebBook |
| monochloroacetic acid | NIST Chemistry WebBook |
| α-chloro-acetic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C06755 | KEGG COMPOUND |
| D07677 | KEGG DRUG |
| CHLOROACETIC-ACID | MetaCyc |
| HMDB0031331 | HMDB |
| LMFA01090068 | LIPID MAPS |
| R3W | PDBeChem |
| monochloroacetic%20acid | Alan Wood's Pesticides |
| Citations |
|---|