Methyldiphenylphosphine oxide

C13H13OPCAS 2129-89-7216.22 g/mol

Open in Covalent MOL file
PO

Properties

Molecular formula
C13H13OP
Molar mass
216.22 g/mol
Exact mass
216.0704 Da
Melting point
109–110 °C
Boiling point
151–152 °C (at 10 Torr)
logP
2.63Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2129-89-7
SMILES
CP(=O)(c1ccccc1)c1ccccc1
InChIKey
PEGCITODQASXKH-UHFFFAOYSA-N
InChI
InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

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Names and synonyms

4 names
  • Phosphine oxide, methyldiphenyl-
  • Diphenylmethylphosphine oxide
  • NSC 407134
  • Methyldiphenyloxophosphine

Work with Methyldiphenylphosphine 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

Triphenylphosphine oxide791-28-650 % similar Ethyldiphenylphosphine oxide1733-57-944 % similar Dimethyl P-phenylphosphonate2240-41-744 % similar Diphenylphosphinic chloride1499-21-444 % similar Phenylphosphonic acid1571-33-144 % similar Diphenylphosphinic acid1707-03-544 % similar Phenylphosphonic dichloride824-72-644 % similar Diethyl phenylphosphonate1754-49-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl P,P-diphenylphosphinite4020-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook