Dimethyl phosphorochloridate

C₂H₆ClO₃PCAS 813-77-4144.49 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₆ClO₃P
Molar mass: 144.49 g/mol
Exact mass: 143.9743 Da
logP: 1.63Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed97.6% of notifiers
H310 Fatal in contact with skin97.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers
H330 Fatal if inhaled97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

813-77-4

SMILES

COP(=O)(OC)Cl

InChIKey

NGFFLHMFSINFGB-UHFFFAOYSA-N

InChI

InChI=1S/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3

Weigh it out

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

Names and synonyms

1 names

Phosphorochloridic acid, dimethyl ester

Work with Dimethyl phosphorochloridate

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

Methyl dichlorophosphate677-24-750 % similar Bis(1-methylethyl) phosphorochloridate2574-25-643 % similar Diethyl phosphorochloridate814-49-343 % similar 2-Chloro-2-oxo-1,3,2-dioxaphospholane6609-64-943 % similar Trimethyl phosphate512-56-142 % similar Dimethyl methylphosphonate756-79-638 % similar Dimethyl chlorothiophosphate2524-03-036 % similar Dimethyl phosphate813-78-536 % similar

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

Same formula

Ethephon16672-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook