CHEBI:16767 - 3,4-dichloroaniline

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ChEBI Name 3,4-dichloroaniline
Definition A dichloroaniline having the two chloro-substituents at the 3- and 4-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1371, CHEBI:11688, CHEBI:19872
Supplier Information
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Formula C6H5Cl2N
Net Charge 0
Average Mass 162.01604
Monoisotopic Mass 160.97990
InChI InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
SMILES Nc1ccc(Cl)c(Cl)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
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.
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ChEBI Ontology
Outgoing 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 propanil (CHEBI:34936) has functional parent 3,4-dichloroaniline (CHEBI:16767)
Synonyms Sources
1-amino-3,4-dichlorobenzene ChemIDplus
3,4-DCA ChemIDplus
3,4-Dichloranilin ChemIDplus
3,4-dichloraniline NIST Chemistry WebBook
3,4-Dichloroaniline KEGG COMPOUND
3,4-dichloroaniline UniProt
3,4-dichlorobenzenamine NIST Chemistry WebBook
4,5-dichloroaniline ChemIDplus
m,p-dichloroaniline ChemIDplus
Manual Xref Database
View more database links
Registry Numbers Types Sources
602350 Gmelin Registry Number Gmelin
636837 Beilstein Registry Number Beilstein
95-76-1 CAS Registry Number ChemIDplus
95-76-1 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
16169045 PubMed citation Europe PMC
Last Modified
09 July 2019