Methyltriphenylphosphonium bromide

C₁₉H₁₈BrPCAS 1779-49-3357.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₈BrP
Molar mass: 357.23 g/mol
Exact mass: 356.0330 Da
Melting point: 229–232 °C
logP: 0.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H300 Fatal if swallowed21.8% of notifiers
H301 Toxic if swallowed14.1% of notifiers
H302 Harmful if swallowed56.4% of notifiers
H312 Harmful in contact with skin55.1% of notifiers
H315 Causes skin irritation11.5% of notifiers
H319 Causes serious eye irritation11.5% of notifiers
H332 Harmful if inhaled53.8% of notifiers
H411 Toxic to aquatic life with long lasting effects15.4% of notifiers

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

1779-49-3

SMILES

C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

InChIKey

LSEFCHWGJNHZNT-UHFFFAOYSA-M

InChI

InChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1

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Names and synonyms

8 names

Phosphonium, methyltriphenyl-, bromide (1:1)
Phosphonium, methyltriphenyl-, bromide
Triphenylmethylphosphonium bromide
Triphenylphosphonium methylbromide
Triphenylphosphonium methobromide
MTPPB
M 0779
Methyltriphenyliphosphonium bromide

Reactions

Wittig olefination: methyltriphenylphosphonium bromide + benzaldehyde → styrenereactant

Work with Methyltriphenylphosphonium bromide

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.

Methyltriphenylphosphonium iodide2065-66-9Salt Methyltriphenylphosphonium chloride1031-15-8Salt

Similar compounds

Tetraphenylphosphonium bromide2751-90-857 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-550 % similar Ethyltriphenylphosphonium bromide1530-32-150 % similar Propyltriphenylphosphonium bromide6228-47-346 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-646 % similar Isobutyltriphenylphosphonium bromide22884-29-345 % similar Bromomethyltriphenylphosphonium bromide1034-49-744 % similar Cyclopropyltriphenylphosphonium bromide14114-05-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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