CHEBI:38729 - naled

ChEBI IDCHEBI:38729
ChEBI Namenaled
Stars
DefinitionAn dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union.
Last Modified7 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H7Br2Cl2O4P
Net Charge0
Average Mass380.784
Monoisotopic Mass377.78257
SMILESCOP(=O)(OC)OC(Br)C(Cl)(Cl)Br
InChIInChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
InChIKeyBUYMVQAILCEWRR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
naled (CHEBI:38729) has role acaricide (CHEBI:22153)
naled (CHEBI:38729) has role agrochemical (CHEBI:33286)
naled (CHEBI:38729) has role antibacterial agent (CHEBI:33282)
naled (CHEBI:38729) has role antifungal agent (CHEBI:35718)
naled (CHEBI:38729) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
naled (CHEBI:38729) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
naled (CHEBI:38729) is a dialkyl phosphate (CHEBI:16648)
naled (CHEBI:38729) is a organobromine compound (CHEBI:37141)
naled (CHEBI:38729) is a organochlorine compound (CHEBI:36683)
naled (CHEBI:38729) is a organophosphate insecticide (CHEBI:25708)
IUPAC Name 
1,2-dibromo-2,2-dichloroethyl dimethyl phosphate
Synonyms  Source
O,O-dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphateChemIDplus
phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl esterChemIDplus
O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphateNIST Chemistry WebBook
dimethyl-1,2-dibromo-2,2-dichloroethyl phosphatePatent
Brand Names  Source
Ortho-DibromNIST Chemistry WebBook
BromexChemIDplus
DibromChemIDplus
Manual XrefsDatabases
GB855157Patent
US2971882Patent
C18749KEGG COMPOUND
NaledWikipedia
naledAlan Wood's Pesticides
480PPDB
Registry NumbersSources
Beilstein:2049930Beilstein
CAS:300-76-5ChemIDplus
CAS:300-76-5NIST Chemistry WebBook
CAS:300-76-5KEGG COMPOUND