chempirical

Chlorpyrifos-methyl

C7H7Cl3NO3PSCAS 5598-13-0322.52 g/mol

Open in Covalent MOL file
OPSOONClClCl
Aryl halide

Properties

Molecular formula
C7H7Cl3NO3PS
Molar mass
322.52 g/mol
Exact mass
320.8950 Da
Density
1.64 g/mL (at 23 °C)
Melting point
45.5–46.5 °C
logP
3.94Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
5598-13-0
SMILES
COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl
InChIKey
HRBKVYFZANMGRE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

19 names · show all
  • Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester
  • Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester
  • OMS 1155
  • Dowco 214
  • O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate
  • Methyl dursban
  • O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate
  • M 3196
  • Reldan
  • Noltran
  • Methyl chlorpyrifos
  • Dursban methyl
  • O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate
  • ENT 27520
  • Dursban ME
  • Cyfen
  • Chlorpyriphos-methyl
  • Chlorpyrifos M
  • Reldan E

Work with Chlorpyrifos-methyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chlorpyrifos2921-88-268 % similar Fenchlorphos299-84-357 % similar Bromophos2104-96-350 % similar Tolclofos-methyl57018-04-950 % similar 2,3,5,6-Tetrachloropyridine2402-79-142 % similar Dicapthon2463-84-539 % similar Triclopyr55335-06-338 % similar Tcpy6515-38-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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