(4-methylphenyl)mercuryylium chloride

• ChemBase ID: 178734
• Molecular Formular: C7H7ClHg
• Molecular Mass: 327.17348
• Monoisotopic Mass: 327.9942709
• SMILES: c1(ccc(cc1)C)[Hg+].[Cl-]
• Canonical SMILES: Cc1ccc(cc1)[Hg+].[Cl-]
• InChI: InChI=1S/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q;;+1/p-1
• InChIKey: PWIXOHDPHIQCLY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylphenyl)mercuryylium chloride
• IUPAC Traditional name: (4-methylphenyl)mercuryylium chloride
• Synonyms: p-Methylphenylmercury Chloride; NSC 36721; p-Tolylmercuric Chloride; Chloro(4-methylphenyl)mercury; p-Tolylmercury Chloride; (p-Methylphenyl)Mercuric Chloride; p-Chloromercuriotoluene

Database IDs

• CAS Number: 539-43-5
• PubChem SID: 164234644
• PubChem CID: 45105304

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3694
• LogD (pH = 7.4): 1.3694
• Log P: 1.3694
• Molar Refractivity: 30.5155 cm^3
• Polarizability: 18.847273 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White Solid
• Melting Point: 223-227°C

DETAILS

Toronto Research Chemicals - T536750

Shows toxicity and genotoxicity effects.

REFERENCES

• Kasuya, M., et al.: Toxicol. Appl. Pharmacol., 23(1)
• 136 (1)