(Chloromethyl)triphenylphosphonium chloride

C19H17Cl2PCAS 5293-84-5347.22 g/mol

Open in Covalent MOL file
ClP+Cl−
Alkyl halide

Properties

Molecular formula
C19H17Cl2P
Molar mass
347.22 g/mol
Exact mass
346.0445 Da
Melting point
256–258 °C
logP
1.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
5293-84-5
SMILES
ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
SXYFAZGVNNYGJQ-UHFFFAOYSA-M
InChI
InChI=1S/C19H17ClP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, (chloromethyl)triphenyl-, chloride (1:1)
  • Phosphonium, (chloromethyl)triphenyl-, chloride
  • NSC 93980

Work with (Chloromethyl)triphenylphosphonium 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

Similar compounds

(But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-456 % similar Benzyltriphenylphosphonium chloride1100-88-556 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-756 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-456 % similar Ethyl(triphenyl)phosphonium chloride896-33-356 % similar (Cyanomethyl)triphenylphosphonium chloride4336-70-352 % similar 2,6-Dichlorobenzyl triphenylphosphonium chloride18583-54-552 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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