Di-tert-butyl(methyl)phosphonium tetrafluoroborate

C₉H₂₂BF₄PCAS 479094-62-7248.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₂BF₄P
Molar mass: 248.05 g/mol
Exact mass: 248.1488 Da
logP: 4.73Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage88.4% of notifiers
H315 Causes skin irritation11.6% of notifiers
H319 Causes serious eye irritation11.6% of notifiers
H335 May cause respiratory irritation11.6% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

479094-62-7

SMILES

[B-](F)(F)(F)F.CC(C)(C)[PH+](C)C(C)(C)C

InChIKey

BRDLRXCAHKUWJS-UHFFFAOYSA-O

InChI

InChI=1S/C9H21P.BF4/c1-8(2,3)10(7)9(4,5)6;2-1(3,4)5/h1-7H3;/q;-1/p+1

Weigh it out

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

Names and synonyms

1 names

Di-tert-butylmethylphosphonium tetrafluoroborate

Work with Di-tert-butyl(methyl)phosphonium 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.

Di-tert-butylmethylphosphine6002-40-0Parent compound Di-tert-butylmethylphosphine tetrafluor&870777-30-3

Similar compounds

Tri-tert-butylphosphine tetrafluoroborate131274-22-160 % similar Di-tert-butylphenylphosphonium tetrafluoroborate612088-55-841 % similar Tetrafluoroboric acid16872-11-035 % similar Tetramethylammonium tetrafluoroborate661-36-933 % similar Trimethyloxonium tetrafluoroborate420-37-132 % similar Sodium tetrafluoroborate13755-29-830 % similar Lead tetrafluoroborate (Pb(BF4)2)13814-96-530 % similar Tin tetrafluoroborate13814-97-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook