Tricyclohexylphosphonium tetrafluoroborate

C₁₈H₃₄BF₄PCAS 58656-04-5368.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₃₄BF₄P
Molar mass: 368.25 g/mol
Exact mass: 368.2427 Da
logP: 7.50Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed44.4% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage11.1% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage11.1% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H412 Harmful to aquatic life with long lasting effects11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

58656-04-5

SMILES

[B-](F)(F)(F)F.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3

InChIKey

MYSMMEUXKHJYKH-UHFFFAOYSA-O

InChI

InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1

Weigh it out

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

Work with Tricyclohexylphosphonium tetrafluoroborate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tricyclohexylphosphine2622-14-2Parent compound Bis(tricyclohexylphosphine)nickel(II) Dichloride19999-87-2Salt Dichlorobis(tricyclohexylphosphine)palladium(II)29934-17-6Salt

Similar compounds

1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)1002345-50-763 % similar Tetrafluoroboric acid16872-11-033 % similar 1,3-Dicyclohexyl-imidazolium tetrafluoroborate286014-38-832 % similar Fluorocyclohexane372-46-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook