Trichloronate

C₁₀H₁₂Cl₃O₂PSCAS 327-98-0333.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂Cl₃O₂PS
Molar mass: 333.59 g/mol
Exact mass: 331.9361 Da
Density: 1.365 g/mL (at 20 °C)
Boiling point: 108 °C (at 0.01 Torr)
logP: 5.39Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
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), via PubChem.

Precautionary statements

P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, P501

Identifiers

CAS number

327-98-0

SMILES

CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl

InChIKey

ANIAQSUBRGXWLS-UHFFFAOYSA-N

InChI

InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all

Phosphonothioic acid, ethyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
S 4400
5082A
BAY 37289
Bayer S 4400
Chemagro 37289
O-Ethyl O-2,4,5-trichlorophenyl ethylphosphonothioate
Trichloronat
Agritox
Bayer 37289
Bayer 5081
ENT-25712
Fitosol
Phytosol
Richloronate
(±)-Trichloronate

Work with Trichloronate

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

Bromophos-ethyl4824-78-651 % similar Dichlofenthion97-17-647 % similar Fenchlorphos299-84-345 % similar Chlorpyrifos2921-88-243 % similar Prothiofos34643-46-440 % similar 1-Chloro-2-ethoxybenzene614-72-238 % similar Bromophos2104-96-337 % similar 2-Chloro-1,4-diethoxybenzene52196-74-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia