Bromodifluoromethyl diethylphosphonate

C₅H₁₀BrF₂O₃PCAS 65094-22-6267.01 g/mol

Open in Covalent MOL file

Alkyl halide Phosphonate

Properties

Molecular formula: C₅H₁₀BrF₂O₃P
Molar mass: 267.01 g/mol
Exact mass: 265.9519 Da
logP: 3.20Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation54.5% of notifiers

Aggregated from 11 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

65094-22-6

SMILES

CCOP(=O)(C(F)(F)Br)OCC

InChIKey

QRADKVYIJIAENZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3

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Names and synonyms

1 names

Diethyl bromodifluoromethanephosphonate

Work with Bromodifluoromethyl diethylphosphonate

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

Triethyl phosphate78-40-039 % similar Tetraethyl pyrophosphate107-49-337 % similar Tetraethyl methylenediphosphonate1660-94-237 % similar Diethyl methylphosphonate683-08-937 % similar Tetraethyl ethylenediphosphonate995-32-437 % similar Ethyl phosphorodichloridate1498-51-735 % similar Hexaethyl tetraphosphate757-58-435 % similar Diethyl ethylphosphonate78-38-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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