Tris(3-fluorophenyl)phosphine

C₁₈H₁₂F₃PCAS 23039-94-3316.26 g/mol

Open in Covalent MOL file

Aryl halide Phosphine

Properties

Molecular formula: C₁₈H₁₂F₃P
Molar mass: 316.26 g/mol
Exact mass: 316.0629 Da
logP: 3.86Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life16.7% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, 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

23039-94-3

SMILES

C1=CC(=CC(=C1)P(C2=CC=CC(=C2)F)C3=CC=CC(=C3)F)F

InChIKey

CUTRINLXFPIWQB-UHFFFAOYSA-N

InChI

InChI=1S/C18H12F3P/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Tris(3-fluorophenyl)phosphine

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

1,3-Difluorobenzene372-18-958 % similar 3,3'-Difluoro-1,1'-biphenyl396-64-550 % similar Tri-m-tolylphosphine6224-63-148 % similar 1-Chloro-3-fluorobenzene625-98-946 % similar 3-Fluorophenylboronic acid768-35-444 % similar 1-Bromo-3-fluorobenzene1073-06-944 % similar 1-Fluoro-3-iodobenzene1121-86-444 % similar 1,2-Dichloro-4-fluorobenzene1435-49-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tris(4-fluorophenyl)phosphine18437-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook