barban (CHEBI:33421)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	barban

ChEBI ID	CHEBI:33421

Definition	A carbamate ester that is 4-chlorobut-2-yn-1-yl ester of N-(3-chlorophenyl)carbamic acid. A herbicide, it is no longer approved for use within the European Community.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C11H9Cl2NO2

Net Charge

Average Mass

258.10100

Monoisotopic Mass

257.00103

InChI

InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)

InChIKey

MCOQHIWZJUDQIC-UHFFFAOYSA-N

SMILES

ClCC#CCOC(=O)Nc1cccc(Cl)c1

Roles Classification
Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	barban (CHEBI:33421) has role herbicide (CHEBI:24527) barban (CHEBI:33421) is a acetylenic compound (CHEBI:73474) barban (CHEBI:33421) is a carbamate ester (CHEBI:23003) barban (CHEBI:33421) is a monochlorobenzenes (CHEBI:83403)

IUPAC Name

4-chlorobut-2-yn-1-yl (3-chlorophenyl)carbamate

Synonyms	Sources
2-butynyl-4-chloro-m-chlorocarbanilate	ChemIDplus
4-chloro-2-butynyl 3-chlorocarbanilate	ChemIDplus
4-chloro-2-butynyl 3-chlorophenylcarbamate	NIST Chemistry WebBook
4-chloro-2-butynyl m-chlorocarbanilate	ChemIDplus
4-chloro-2-butynyl m-chlorophenylcarbamate	ChemIDplus
4-chloro-2-butynyl meta-chlorocarbanilate	ChemIDplus
4-chlorobut-2-ynyl 3-chlorophenylcarbamate	NIST Chemistry WebBook
4-chlorobut-2-ynyl-m-chlorocarbanilate	ChemIDplus

Last Modified

23 October 2014