Dimethyl phosphate

C₂H₇O₄PCAS 813-78-5126.05 g/mol

Open in Covalent MOL file

Phosphate

Properties

Molecular formula: C₂H₇O₄P
Molar mass: 126.05 g/mol
Exact mass: 126.0082 Da
Density: 1.3337 g/mL (at 20 °C)
Boiling point: 113 °C (at 0.023 Torr)
Flash point: 93.3 °C
Water solubility: ≥ 100 g/L (21.1 °C)
logP: 0.38Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin97.9% of notifiers
H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin97.9% of notifiers
H314 Causes severe skin burns and eye damage99.3% of notifiers
H317 May cause an allergic skin reaction97.9% of notifiers
H318 Causes serious eye damage72.6% of notifiers

Aggregated from 146 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

813-78-5

SMILES

COP(=O)(O)OC

InChIKey

KKUKTXOBAWVSHC-UHFFFAOYSA-N

InChI

InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)

Weigh it out

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

Names and synonyms

7 names

Phosphoric acid, dimethyl ester
Methyl phosphate ((CH3O)2(HO)PO)
Dimethyl hydrogen phosphate
O,O-Dimethyl phosphate
O,O-Dimethyl hydrogen phosphate
DMP
NSC 2676

Work with 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

Similar compounds

Trimethyl phosphate512-56-142 % similar Dimethyl methylphosphonate756-79-638 % similar Dimethyl (hydroxymethyl)phosphonate24630-67-938 % similar Dibutyl phosphate107-66-437 % similar Methyl dichlorophosphate677-24-736 % similar Dimethyl phosphorochloridate813-77-436 % similar Dimethyl P-(2-hydroxyethyl)phosphonate54731-72-535 % similar Dicetyl phosphate2197-63-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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