chempirical

p-Chloromercuribenzoic acid

C7H5ClHgO2CAS 59-85-8357.16 g/mol

Open in Covalent MOL file
HClOO−HC−Hg2+
AlkeneCarboxylic acid

Properties

Molecular formula
C7H5ClHgO2
Molar mass
357.16 g/mol
Exact mass
357.9685 Da
Melting point
273 °C
logP
0.01Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59-85-8
SMILES
Cl.O=C([O-])C1=CC=C=C[CH-]1.[Hg+2]
InChIKey
LWYLSZJDISINGV-UHFFFAOYSA-M
InChI
InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q-1;;+2/p-1

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Names and synonyms

12 names
  • 4-Chloromercuribenzoic acid
  • Mercurate(1-), (4-carboxylatophenyl)chloro-, hydrogen
  • Mercury, (p-carboxyphenyl)chloro-
  • p-Chlormercuribenzoic acid
  • p-Carboxyphenylmercuric chloride
  • p-Chloromercuric benzoic acid
  • 4-(Chloromercuri)benzoic acid
  • p-(Chloromercuri)benzoic acid
  • (4-Carboxyphenyl)chloromercury
  • 4-Carboxyphenylmercuric chloride
  • PCMB
  • NSC 32866

Reactions

Work with p-Chloromercuribenzoic acid

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.

Sodium p-hydroxymercuribenzoate138-85-2Salt

Elsewhere

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