Cinnamyltriphenylphosphonium bromide

C27H24BrPCAS 7310-74-9459.37 g/mol

Open in Covalent MOL file
P+Br−
Alkene

Properties

Molecular formula
C27H24BrP
Molar mass
459.37 g/mol
Exact mass
458.0799 Da
logP
2.70Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

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
7310-74-9
SMILES
C1=CC=C(C=C1)/C=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChIKey
APIBROGXENTUGB-ZUQRMPMESA-M
InChI
InChI=1S/C27H24P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1/b16-13+;

Weigh it out

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Work with Cinnamyltriphenylphosphonium 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

(But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-457 % similar Allyltriphenylphosphonium bromide1560-54-956 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-552 % similar Bromomethyltriphenylphosphonium bromide1034-49-752 % similar (3-Carbomethoxy-2-propenyl)triphenylphosphonium bromide2181-98-849 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-648 % similar Benzyltriphenylphosphonium bromide1449-46-347 % similar Ethyltriphenylphosphonium bromide1530-32-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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