Diethyl P-(2-bromoethyl)phosphonate

C6H14BrO3PCAS 5324-30-1245.05 g/mol

Open in Covalent MOL file
OPOBrO
Alkyl halidePhosphonate

Properties

Molecular formula
C6H14BrO3P
Molar mass
245.05 g/mol
Exact mass
243.9864 Da
Density
1.0154 g/mL (at 20 °C)
Boiling point
101 °C (at 0.8 Torr)
logP
2.65Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5324-30-1
SMILES
CCOP(=O)(CCBr)OCC
InChIKey
PINITSMLVXAASM-UHFFFAOYSA-N
InChI
InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3

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Names and synonyms

10 names
  • Phosphonic acid, P-(2-bromoethyl)-, diethyl ester
  • Phosphonic acid, (2-bromoethyl)-, diethyl ester
  • (2-Bromoethyl)phosphonic acid diethyl ester
  • Diethyl (2-bromoethyl)phosphonate
  • O,O-Diethyl (2-bromoethyl)phosphonate
  • NSC 119421
  • NSC 2672
  • Diethyl bromoethylphosphonate
  • 1-Bromo-2-diethoxyphosphoryl-ethane
  • 1-Bromo-2-diethoxyphosphorylethane

Work with Diethyl P-(2-bromoethyl)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

Similar compounds

Tetraethyl ethylenediphosphonate995-32-470 % similar Diethyl propylphosphonate18812-51-664 % similar Diethyl butylphosphonate2404-75-357 % similar Tetraethyl methylenediphosphonate1660-94-256 % similar Diethyl ethylphosphonate78-38-654 % similar Diethyl decylphosphonate16165-68-753 % similar Diethyl P-[2-(triethoxysilyl)ethyl]phosphonate757-44-853 % similar Diethyl P-(iodomethyl)phosphonate10419-77-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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