chempirical

Bromomethyltriphenylphosphonium bromide

C19H17Br2PCAS 1034-49-7436.13 g/mol

Open in Covalent MOL file
BrP+Br−
Alkyl halide

Properties

Molecular formula
C19H17Br2P
Molar mass
436.13 g/mol
Exact mass
433.9435 Da
Melting point
195–225 °C
logP
1.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
1034-49-7
SMILES
BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
YFTMLUSIDVFTKU-UHFFFAOYSA-M
InChI
InChI=1S/C19H17BrP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, (bromomethyl)triphenyl-, bromide (1:1)
  • Phosphonium, (bromomethyl)triphenyl-, bromide
  • NSC 193751

Work with Bromomethyltriphenylphosphonium 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

Ethylenebis[triphenylphosphonium bromide]1519-45-563 % similar (3-Bromopropyl)triphenylphosphonium bromide3607-17-859 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-658 % similar Benzyltriphenylphosphonium bromide1449-46-356 % similar Ethyltriphenylphosphonium bromide1530-32-156 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-656 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-752 % similar Propyltriphenylphosphonium bromide6228-47-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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