Diethyl P-(iodomethyl)phosphonate

C₅H₁₂IO₃PCAS 10419-77-9278.03 g/mol

Open in Covalent MOL file

Halogen Phosphate

Properties

Molecular formula: C₅H₁₂IO₃P
Molar mass: 278.03 g/mol
Exact mass: 277.9569 Da
Density: 1.6606 g/mL (at 19 °C)
Boiling point: 119–120 °C (at 5 Torr)
logP: 2.65Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

10419-77-9

SMILES

CCOP(=O)(CI)OCC

InChIKey

PNFHTBDRPOJJTQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H12IO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

Phosphonic acid, P-(iodomethyl)-, diethyl ester
Phosphonic acid, (iodomethyl)-, diethyl ester
Diethyl (iodomethyl)phosphonate
Diethyl iodomethanephosphonate
1-[Ethoxy(iodomethyl)phosphoryl]oxyethane

Work with Diethyl P-(iodomethyl)phosphonate

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook