Bis(4-fluorophenyl)phenylphosphine oxide

C₁₈H₁₃F₂OPCAS 54300-32-2314.27 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₈H₁₃F₂OP
Molar mass: 314.27 g/mol
Exact mass: 314.0672 Da
Melting point: 0.1 °C
logP: 3.60Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

54300-32-2

SMILES

O=P(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1

InChIKey

AAYLOGMTTMROGA-UHFFFAOYSA-N

InChI

InChI=1S/C18H13F2OP/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H

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Names and synonyms

3 names

Phosphine oxide, bis(4-fluorophenyl)phenyl-
4,4′-Difluorotriphenylphosphine oxide
4,4′-Difluorodiphenyl phenylphosphine oxide

Work with Bis(4-fluorophenyl)phenylphosphine 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 oxide791-28-668 % similar Fluorobenzene462-06-650 % similar 2,8-Bis(diphenylphosphoryl)dibenzo[b,d]furan911397-27-848 % similar 4-Fluorobenzophenone345-83-547 % similar 4-Fluorobiphenyl324-74-346 % similar Bis[2-[(oxo)diphenylphosphino]phenyl] Ether808142-23-644 % similar 1-Fluoro-4-phenoxybenzene330-84-741 % similar 4-Fluorodiphenylmethane587-79-141 % similar

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

Elsewhere

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