(3-Bromopropyl)triphenylphosphonium bromide

C₂₁H₂₁Br₂PCAS 3607-17-8464.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₁Br₂P
Molar mass: 464.18 g/mol
Exact mass: 461.9748 Da
Melting point: 210–215 °C
logP: 1.77Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

3607-17-8

SMILES

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

InChIKey

ZAHUZZUGJRPGKW-UHFFFAOYSA-M

InChI

InChI=1S/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1

Weigh it out

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Names and synonyms

4 names

Phosphonium, (3-bromopropyl)triphenyl-, bromide (1:1)
Phosphonium, (3-bromopropyl)triphenyl-, bromide
NSC 84074
Triphenyl(3-bromopropyl)phosphonium bromide

Work with (3-Bromopropyl)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

(4-Bromobutyl)triphenylphosphanium bromide7333-63-389 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-673 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-966 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-565 % similar Butyltriphenylphosphonium bromide1779-51-761 % similar Pentyltriphenylphosphonium bromide21406-61-159 % similar Bromomethyltriphenylphosphonium bromide1034-49-759 % similar Heptyltriphenylphosphonium bromide13423-48-858 % similar

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

Elsewhere

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