Diethyl phosphorochloridate

C₄H₁₀ClO₃PCAS 814-49-3172.54 g/mol

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Properties

Molecular formula: C₄H₁₀ClO₃P
Molar mass: 172.54 g/mol
Exact mass: 172.0056 Da
Density: 1.1915 g/mL (at 25 °C)
Melting point: 95–96 °C
Boiling point: 60 °C (at 2 Torr)
logP: 2.41Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled74.5% of notifiers
H300+H310 Fatal if swallowed or in contact with skin17.6% of notifiers
H300 Fatal if swallowed100% of notifiers
H310 Fatal in contact with skin100% of notifiers
H330 Fatal if inhaled74.5% of notifiers
H331 Toxic if inhaled23.5% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

814-49-3

SMILES

CCOP(=O)(Cl)OCC

InChIKey

LGTLXDJOAJDFLR-UHFFFAOYSA-N

InChI

InChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

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Names and synonyms

24 names · show all

Phosphorochloridic acid, diethyl ester
Ethyl phosphorochloridate
Diethyl chlorophosphate
Ethyl phosphorochloridate (EtO)2ClPO
Ethyl phosphorochloridate (Cl(EtO)2PO)
Diethoxyphosphorus oxychloride
Diethylphosphoryl chloride
O,O-Diethyl chlorophosphate
O,O-Diethyl chlorophosphonate
O,O-Diethyl phosphorochloridate
O,O-Diethylphosphoryl chloride
Diethyl phosphorochloride
Chlorodiethoxyphosphine oxide
Diethylphosphoric acid chloride
Diethoxyphosphoryl chloride
O,O-Diethyl chloridophosphate
Diethyl chlorophosphonate
Phosphoric acid chloride diethyl ester
Chlorodiethylphosphate
Phosphoric acid diethyl ester chloride
Diethyl phosphoric chloride
Diethyl phosphochloridate
NSC 43770
1-[Chloro(ethoxy)phosphoryl]oxyethane

Work with Diethyl 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

2-Chloro-2-oxo-1,3,2-dioxaphospholane6609-64-957 % similar Ethyl phosphorodichloridate1498-51-757 % similar Triethyl phosphate78-40-050 % similar Tetraethyl pyrophosphate107-49-346 % similar Tetraethyl methylenediphosphonate1660-94-246 % similar Diethyl methylphosphonate683-08-946 % similar Tetraethyl ethylenediphosphonate995-32-446 % similar O,O-Diethyl phosphorochloridothioate2524-04-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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