Tris(3,5-bis(trifluoromethyl)phenyl)phosphine

C₂₄H₉F₁₈PCAS 175136-62-6670.28 g/mol

Open in Covalent MOL file

Alkyl halide Phosphine

Properties

Molecular formula: C₂₄H₉F₁₈P
Molar mass: 670.28 g/mol
Exact mass: 670.0154 Da
logP: 9.56Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

175136-62-6

SMILES

FC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

InChIKey

ITJHLZVYLDBFOJ-UHFFFAOYSA-N

InChI

InChI=1S/C24H9F18P/c25-19(26,27)10-1-11(20(28,29)30)5-16(4-10)43(17-6-12(21(31,32)33)2-13(7-17)22(34,35)36)18-8-14(23(37,38)39)3-15(9-18)24(40,41)42/h1-9H

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Names and synonyms

2 names

Tris[3,5-bis(trifluoromethyl)phenyl]phosphine
Phosphine, tris[3,5-bis(trifluoromethyl)phenyl]-

Work with Tris(3,5-bis(trifluoromethyl)phenyl)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

1,3,5-Tris(trifluoromethyl)benzene729-81-767 % similar Tris(4-trifluoromethylphenyl)phosphine13406-29-657 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-750 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-150 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-350 % similar 1-Iodo-3,5-bis(trifluoromethyl)benzene328-73-450 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-550 % similar 3,5-Bis(trifluoromethyl)phenol349-58-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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