Chlorpyrifos-methyl

C₇H₇Cl₃NO₃PSCAS 5598-13-0322.52 g/mol

Open in Covalent MOL file

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
Flash point: 182 °C (open cup)
Water solubility: 4 mg/L (25 °C)
logP: 3.94Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 015-186-00-9), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

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

PubChem CAS Common Chemistry NIST WebBook