(p-Methylbenzyl)triphenylphosphonium bromide

C26H24BrPCAS 2378-86-1447.36 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C26H24BrP
Molar mass
447.36 g/mol
Exact mass
446.0799 Da
Melting point
267 °C
logP
2.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
2378-86-1
SMILES
Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIKey
CEEKCHGNKYVTTM-UHFFFAOYSA-M
InChI
InChI=1S/C26H24P.BrH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

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Names and synonyms

5 names
  • Phosphonium, [(4-methylphenyl)methyl]triphenyl-, bromide (1:1)
  • Phosphonium, (p-methylbenzyl)triphenyl-, bromide
  • Phosphonium, [(4-methylphenyl)methyl]triphenyl-, bromide
  • 4-Methylbenzyltriphenylphosphonium bromide
  • NSC 77141

Work with (p-Methylbenzyl)triphenylphosphonium 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

Similar compounds

(p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-678 % similar Benzyltriphenylphosphonium bromide1449-46-371 % similar (4-Bromobenzyl)triphenylphosphonium bromide51044-13-464 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-760 % similar 4-Ethoxybenzyltriphenylphosphonium bromide82105-88-259 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-656 % similar Benzyltriphenylphosphonium chloride1100-88-555 % similar (4-Nitrobenzyl)triphenylphosphonium bromide2767-70-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook