Bromotris(dimethylamino)phosphonium hexafluorophosphate

C₆H₁₈BrF₆N₃P₂CAS 50296-37-2388.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₈BrF₆N₃P₂
Molar mass: 388.07 g/mol
Exact mass: 387.0064 Da
logP: 5.13Crippen estimate
Polar surface area: 9.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H350 May cause cancer97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P363, P405, P501

Identifiers

CAS number

50296-37-2

SMILES

CN(C)[P+](N(C)C)(N(C)C)Br.F[P-](F)(F)(F)(F)F

InChIKey

XELPBWPBGHCIKX-UHFFFAOYSA-N

InChI

InChI=1S/C6H18BrN3P.F6P/c1-8(2)11(7,9(3)4)10(5)6;1-7(2,3,4,5)6/h1-6H3;/q+1;-1

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Work with Bromotris(dimethylamino)phosphonium hexafluorophosphate

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

PyBroP132705-51-246 % similar Tetramethylfluoroformamidinium hexafluorophosphate164298-23-133 % similar Hexafluorophosphoric acid16940-81-133 % similar Tetramethylammonium hexafluorophosphate558-32-732 % similar 1,3-Dimethyl-2-fluoroimidazolium hexafluorophosphate164298-27-530 % similar Ammonium hexafluorophosphate16941-11-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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