Diphenylphosphine oxide

C₁₂H₁₁OPCAS 4559-70-0202.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₁OP
Molar mass: 202.19 g/mol
Exact mass: 202.0548 Da
logP: 2.20Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed89.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.3% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4559-70-0

SMILES

C1=CC=C(C=C1)P(=O)C2=CC=CC=C2

InChIKey

ASUOLLHGALPRFK-UHFFFAOYSA-N

InChI

InChI=1S/C12H11OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H

Weigh it out

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Work with Diphenylphosphine oxide

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

Phenylphosphinic acid1779-48-250 % similar Bis(4-methylphenyl)phosphine oxide2409-61-250 % similar Sodium phenylphosphinate4297-95-444 % similar Diphenylphosphite4712-55-438 % similar Nitrosobenzene586-96-936 % similar Diphenyl ether101-84-835 % similar Dibenzyl phosphite17176-77-133 % similar 1,4-Diphenoxybenzene3061-36-733 % similar

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

Elsewhere

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