sec-Butyltriphenylphosphonium bromide

C₂₂H₂₄BrPCAS 3968-92-1399.31 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

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

PubChem CAS Common Chemistry NIST WebBook