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CHEBI:16767 - 3,4-dichloroaniline
| Formula | C6H5Cl2N |
| Net Charge | 0 |
| Average Mass | 162.019 |
| Monoisotopic Mass | 160.97990 |
| SMILES | Nc1ccc(Cl)c(Cl)c1 |
| InChI | InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2 |
| InChIKey | SDYWXFYBZPNOFX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dichloroaniline (CHEBI:16767) has functional parent 1,2-dichlorobenzene (CHEBI:35290) |
| 3,4-dichloroaniline (CHEBI:16767) has role epitope (CHEBI:53000) |
| 3,4-dichloroaniline (CHEBI:16767) has role xenobiotic (CHEBI:35703) |
| 3,4-dichloroaniline (CHEBI:16767) is a dichloroaniline (CHEBI:23696) |
| Incoming Relation(s) |
| propanil (CHEBI:34936) has functional parent 3,4-dichloroaniline (CHEBI:16767) |
| IUPAC Name |
|---|
| 3,4-dichloroaniline |
| Synonyms | Source |
|---|---|
| 3,4-Dichloroaniline | KEGG COMPOUND |
| 3,4-Dichloranilin | ChemIDplus |
| 3,4-dichlorobenzenamine | NIST Chemistry WebBook |
| 3,4-DCA | ChemIDplus |
| 1-amino-3,4-dichlorobenzene | ChemIDplus |
| 3,4-dichloraniline | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| 3,4-dichloroaniline | UniProt |
| Citations |
|---|