(But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride

C₄₀H₃₆Cl₂P₂CAS 106423-29-4649.58 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₄₀H₃₆Cl₂P₂
Molar mass: 649.58 g/mol
Exact mass: 648.1669 Da
logP: 1.54Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 10

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

106423-29-4

SMILES

C1=CC=C(C=C1)[P+](CC=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-]

InChIKey

OOACLPDZHDFCQP-UHFFFAOYSA-L

InChI

InChI=1S/C40H36P2.2ClH/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-32H,33-34H2;2*1H/q+2;;/p-2

Weigh it out

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Names and synonyms

1 names

2-Butene-1,4-bis(triphenylphosphonium chloride)

Work with (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride

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

Allyltriphenylphosphonium chloride18480-23-467 % similar (Formylmethyl)triphenylphosphonium chloride62942-43-267 % similar Cinnamyltriphenylphosphonium bromide7310-74-957 % similar Benzyltriphenylphosphonium chloride1100-88-556 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-756 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-456 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-556 % similar Ethyl(triphenyl)phosphonium chloride896-33-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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