Cyclopropyltriphenylphosphonium bromide

C₂₁H₂₀BrPCAS 14114-05-7383.27 g/mol

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Properties

Molecular formula: C₂₁H₂₀BrP
Molar mass: 383.27 g/mol
Exact mass: 382.0486 Da
logP: 1.15Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

14114-05-7

SMILES

[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CC2)cc1

InChIKey

XMPWFKHMCNRJCL-UHFFFAOYSA-M

InChI

InChI=1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1

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Names and synonyms

3 names

Phosphonium, cyclopropyltriphenyl-, bromide (1:1)
Phosphonium, cyclopropyltriphenyl-, bromide
NSC 110599

Work with Cyclopropyltriphenylphosphonium 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

Cyclopentyltriphenylphosphonium bromide7333-52-083 % similar Cyclohexyltriphenylphosphonium bromide7333-51-980 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-752 % similar sec-Butyltriphenylphosphonium bromide3968-92-152 % similar Bromomethyltriphenylphosphonium bromide1034-49-750 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-550 % similar Tetraphenylphosphonium bromide2751-90-850 % similar Isopentyltriphenylphosphonium bromide28322-40-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Allyltriphenylphosphonium bromide1560-54-9

Elsewhere

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