Naled
  • CAS Number 300-76-5
  • Catalog Number io-2703
  • Classification Esters
  • Molecular Weight 380.7800
  • SMILES COP(=O)(OC)OC(C(Cl)(Cl)Br)Br
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Naled is an 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. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide, an agrochemical, an antibacterial agent and an antifungal agent. It is a dialkyl phosphate, an organophosphate insecticide, an organochlorine compound and an organobromine compound.

1 naled
2 Dibrom
3 Bromchlophos
4 Bromex
5 Ortho-Dibrom
Molecular Formula C4H7Br2Cl2O4P
Canonical SMILES COP(=O)(OC)OC(C(Cl)(Cl)Br)Br
Isomeric SMILES COP(=O)(OC)OC(C(Cl)(Cl)Br)Br
Molecular Weight 380.7800
InChIKey BUYMVQAILCEWRR-UHFFFAOYSA-N
InChI InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
XLogP 2.5000
ExactMass 379.7805
MonoisotopicMass 377.7826
TPSA 44.8000
Complexity 206.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 4
RotatableBondCount 5
HeavyAtomCount 13
IsotopeAtomCount 0
AtomStereoCount 1
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 1
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 14451
PatentFamilyCount 4752
LiteratureCount 554