chempirical

Tris(4-chlorophenyl)phosphine

C18H12Cl3PCAS 1159-54-2365.62 g/mol

Open in Covalent MOL file
ClPClCl
Aryl halidePhosphine

Properties

Molecular formula
C18H12Cl3P
Molar mass
365.62 g/mol
Exact mass
363.9742 Da
Melting point
103 °C
logP
5.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
1159-54-2
SMILES
Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIKey
IQKSLJOIKWOGIZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H

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Names and synonyms

6 names
  • Tris(p-chlorophenyl)phosphine
  • Tri(p-chlorophenyl)phosphine
  • Tri(4-chlorophenyl)phosphine
  • NSC 136459
  • Phosphine, tris(4-chlorophenyl)-
  • Phosphine, tris(p-chlorophenyl)-

Work with Tris(4-chlorophenyl)phosphine

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

1,4-Dichlorobenzene106-46-760 % similar 4,4′-Dichlorobiphenyl2050-68-250 % similar 1,4-Bis(diphenylphosphino)benzene1179-06-247 % similar 4,4′-Dichlorobenzhydrol90-97-143 % similar Tri-P-tolylphosphine1038-95-543 % similar 1-Bromo-4-chlorobenzene106-39-843 % similar 4-Chlorotoluene106-43-443 % similar 4-Chloroaniline106-47-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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