Diisopropyl methylphosphonate

C7H17O3PCAS 1445-75-6180.18 g/mol

Open in Covalent MOL file
OPOO
Phosphonate

Properties

Molecular formula
C7H17O3P
Molar mass
180.18 g/mol
Exact mass
180.0915 Da
Density
0.98 g/mL
Melting point
below 25 °C
Boiling point
121.05 °C (at 10 Torr)
logP
2.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
1445-75-6
SMILES
CC(C)OP(C)(=O)OC(C)C
InChIKey
WOAFDHWYKSOANX-UHFFFAOYSA-N
InChI
InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

Weigh it out

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

Names and synonyms

9 names
  • Phosphonic acid, P-methyl-, bis(1-methylethyl) ester
  • Phosphonic acid, methyl-, diisopropyl ester
  • Phosphonic acid, methyl-, bis(1-methylethyl) ester
  • DIMP
  • Diisopropyl methanephosphonate
  • DIMP (phosphonate)
  • O,O-Diisopropyl methylphosphonate
  • 2-[Methyl(propan-2-yloxy)phosphoryl]oxypropane
  • 2-[Isopropoxy(methyl)phosphoryl]oxypropane

Reactions

Work with Diisopropyl methylphosphonate

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

Tetraisopropyl methylenediphosphonate1660-95-346 % similar Bis(1-methylethyl) phosphorochloridate2574-25-646 % similar Diisopropyl fluorophosphate55-91-446 % similar Dimethyl methylphosphonate756-79-641 % similar Diethyl methylphosphonate683-08-936 % similar Iprobenfos26087-47-831 % similar Diisopropyl ether108-20-330 % similar Bis((5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl) methyl phosphonate P,P'-dioxide42595-45-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl propylphosphonate18812-51-6

Elsewhere

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