Bis(triphenylphosphine)iminium chloride

C36H30ClNP2CAS 21050-13-5574.04 g/mol

Open in Covalent MOL file
Cl−PNP+

Properties

Molecular formula
C36H30ClNP2
Molar mass
574.04 g/mol
Exact mass
573.1542 Da
Melting point
272 °C
logP
4.08Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

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, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
21050-13-5
SMILES
[Cl-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
LVRCYPYRKNAAMX-UHFFFAOYSA-M
InChI
InChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Phosphorus(1+), triphenyl(P,P,P-triphenylphosphine imidato-κN)-, chloride (1:1), (T-4)-
  • Phosphorus(1+), triphenyl(P,P,P-triphenylphosphine imidato)-, chloride
  • Phosphorus(1+), triphenyl(P,P,P-triphenylphosphine imidato-N)-, chloride, (T-4)-
  • Bis(triphenylphosphoranylidene)ammonium chloride
  • Phosphorus(1+), triphenyl(P,P,P-triphenylphosphine imidato-κN)-, chloride, (T-4)-
  • Phosphine imide, P,P,P-triphenyl-, phosphorus complex
  • Triphenyl(P,P,P-triphenylphosphine imidato)phosphorus(1+) chloride
  • Bis(triphenylphosphine)iminium monochloride
  • PPNCl
  • Bis(triphenylphosphoranylidene)iminium chloride
  • Bis(triphenylphosphoranyldiene)ammonium chloride

Work with Bis(triphenylphosphine)iminium chloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bis(triphenylphosphine)iminium trifluoroacetate116405-43-7Salt

Similar compounds

Tetraphenylphosphonium chloride2001-45-844 % similar Methyltriphenylphosphonium chloride1031-15-840 % similar (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-436 % similar Benzyltriphenylphosphonium chloride1100-88-536 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-736 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-436 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-536 % similar (Isocyanoimino)triphenylphosphorane73789-56-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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