(4-Bromobutyl)triphenylphosphanium bromide

C₂₂H₂₃Br₂PCAS 7333-63-3478.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₂₃Br₂P
Molar mass: 478.21 g/mol
Exact mass: 475.9904 Da
logP: 2.16Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

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

7333-63-3

SMILES

C1=CC=C(C=C1)[P+](CCCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChIKey

BJDNCJGRAMGIRU-UHFFFAOYSA-M

InChI

InChI=1S/C22H23BrP.BrH/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1

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Names and synonyms

1 names

(4-Bromobutyl)triphenylphosphonium bromide

Work with (4-Bromobutyl)triphenylphosphanium 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

(3-Bromopropyl)triphenylphosphonium bromide3607-17-889 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-677 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-963 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-563 % similar Pentyltriphenylphosphonium bromide21406-61-163 % similar Heptyltriphenylphosphonium bromide13423-48-861 % similar Hexadecyltriphenylphosphonium bromide14866-43-461 % similar Dodecyltriphenylphosphonium bromide15510-55-161 % similar

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

Elsewhere

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