2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate

C₁₀H₉Cl₄O₄PCAS 961-11-5365.95 g/mol

Open in Covalent MOL file

Alkene Aryl halide Phosphate Vinyl halide

Properties

Molecular formula: C₁₀H₉Cl₄O₄P
Molar mass: 365.95 g/mol
Exact mass: 363.8993 Da
Melting point: 97.5 °C
logP: 5.60Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed98.2% of notifiers
H312 Harmful in contact with skin29.1% of notifiers
H332 Harmful if inhaled98.2% of notifiers
H400 Very toxic to aquatic life70.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects70.9% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P501

Identifiers

CAS number

961-11-5

SMILES

COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl

InChIKey

UBCKGWBNUIFUST-UHFFFAOYSA-N

InChI

InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

6 names

Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester
Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl ester
Benzyl alcohol, 2,4,5-trichloro-α-(chloromethylene)-, dimethyl phosphate
Dimethyl-1-(2,4,5-trichlorophenyl)-2-chlorovinyl phosphate
Dimethyl 2,4,5-trichloro-α-(chloromethylene)benzyl phosphate
IPO 8

Work with 2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tetrachlorvinphos22248-79-9

Similar compounds

Chlorfenvinphos470-90-652 % similar Fenchlorphos299-84-333 % similar Dichlorvos62-73-733 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-132 % similar 4,5-Dichlorophthalic acid56962-08-432 % similar 4,5-Dichlorophthalic anhydride942-06-332 % similar Trimethyl phosphate512-56-131 % similar Mevinphos7786-34-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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