(Methoxycarbonylmethyl)triphenylphosphonium chloride

C21H20ClO2PCAS 2181-97-7370.81 g/mol

Open in Covalent MOL file
OOP+Cl−
Ester

Properties

Molecular formula
C21H20ClO2P
Molar mass
370.81 g/mol
Exact mass
370.0889 Da
Melting point
142 °C
logP
0.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
2181-97-7
SMILES
COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
CXCXTEMZMJZMJX-UHFFFAOYSA-M
InChI
InChI=1S/C21H20O2P.ClH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names
  • Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, chloride (1:1)
  • Phosphonium, (carboxymethyl)triphenyl-, chloride, methyl ester
  • Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, chloride
  • (Carboxymethyl)triphenylphosphonium chloride, methyl ester
  • (2-Methoxy-2-oxoethyl)triphenylphosphonium chloride
  • (Methoxycarbonylmethyl)tris(phenyl)phosphonium chloride

Work with (Methoxycarbonylmethyl)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

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.

[(Methoxycarbonyl)methyl]triphenylphosphonium bromide1779-58-4Salt

Similar compounds

[(Ethoxycarbonyl)methyl]triphenylphosphonium chloride17577-28-568 % similar (2-(tert-Butoxy)-2-oxoethyl)triphenylphosphonium chloride35000-37-466 % similar Acetonyltriphenylphosphonium chloride1235-21-858 % similar (Ethoxycarbonylmethyl)triphenylphosphonium bromide1530-45-655 % similar Methyl phenylacetate101-41-750 % similar (Methoxymethyl)triphenylphosphonium chloride4009-98-750 % similar Methyl 3-phenylpropionate103-25-349 % similar Methyl 2-phenoxyacetate2065-23-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook