3,4-dichloroaniline (CHEBI:16767)

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ChEBI Name	3,4-dichloroaniline

ChEBI ID	CHEBI:16767

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

Download	Molfile XML SDF

Formula

C6H5Cl2N

Net Charge

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

InChIKey

SDYWXFYBZPNOFX-UHFFFAOYSA-N

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. 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.

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)

IUPAC Name

3,4-dichloroaniline

Citation	Type	Source
16169045	PubMed citation	Europe PMC

Last Modified

09 July 2019