chempirical

sec-Butyltriphenylphosphonium bromide

C22H24BrPCAS 3968-92-1399.31 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C22H24BrP
Molar mass
399.31 g/mol
Exact mass
398.0799 Da
Melting point
225–227 °C
logP
1.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
3968-92-1
SMILES
CCC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
HKWAYXKPYJOYEL-UHFFFAOYSA-M
InChI
InChI=1S/C22H24P.BrH/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • Phosphonium, (1-methylpropyl)triphenyl-, bromide (1:1)
  • Phosphonium, sec-butyltriphenyl-, bromide
  • Phosphonium, (1-methylpropyl)triphenyl-, bromide
  • 2-Butyltriphenylphosphonium bromide

Work with sec-Butyltriphenylphosphonium 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

Cyclopropyltriphenylphosphonium bromide14114-05-752 % similar Cyclopentyltriphenylphosphonium bromide7333-52-048 % similar Cyclohexyltriphenylphosphonium bromide7333-51-947 % similar Ethyltriphenylphosphonium bromide1530-32-147 % similar (1-Ethoxycarbonylethyl)triphenylphosphonium bromide30018-16-745 % similar Isopentyltriphenylphosphonium bromide28322-40-944 % similar (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide52509-14-544 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-744 % similar

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

Same formula

Butyltriphenylphosphonium bromide1779-51-7 Isobutyltriphenylphosphonium bromide22884-29-3

Elsewhere

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