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CHEBI:33421 - barban

ChEBI IDCHEBI:33421
ChEBI Namebarban
Stars
DefinitionA 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.
Last Modified23 October 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H9Cl2NO2
Net Charge0
Average Mass258.104
Monoisotopic Mass257.00103
SMILESO=C(Nc1cccc(Cl)c1)OCC#CCCl
InChIInChI=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)
InChIKeyMCOQHIWZJUDQIC-UHFFFAOYSA-N
Roles Classification
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
4-chlorobut-2-ynyl 3-chlorophenylcarbamateNIST Chemistry WebBook
4-chloro-2-butynyl 3-chlorophenylcarbamateNIST Chemistry WebBook
4-chlorobut-2-ynyl-m-chlorocarbanilateChemIDplus
4-chloro-2-butynyl meta-chlorocarbanilateChemIDplus
2-butynyl-4-chloro-m-chlorocarbanilateChemIDplus
4-chloro-2-butynyl 3-chlorocarbanilateChemIDplus
Manual XrefsDatabases
C19059KEGG COMPOUND
barbanAlan Wood's Pesticides
US2906614Patent
1108PPDB
Registry NumbersSources
Reaxys:2376181Reaxys
CAS:101-27-9NIST Chemistry WebBook
CAS:101-27-9ChemIDplus
CAS:101-27-9KEGG COMPOUND
Citations