phenylmercuryylium chloride

• ChemBase ID: 303274
• Molecular Formular: C6H5ClHg
• Molecular Mass: 313.1469
• Monoisotopic Mass: 313.97862084
• SMILES: c1ccc(cc1)[Hg+].[Cl-]
• Canonical SMILES: [Hg+]c1ccccc1.[Cl-]
• InChI: InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
• InChIKey: AWGTVRDHKJQFAX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmercuryylium chloride
• IUPAC Traditional name: phenylmercury(II) chloride
• Synonyms: Phenylmercuric chloride; Phenylmercury(II) chloride; 苯基氯化汞(II)

Database IDs

• CAS Number: 100-56-1
• EC Number: 202-865-1
• MDL Number: MFCD00000463
• Merck Index: 147301

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9022
• LogD (pH = 7.4): 0.9022
• Log P: 0.9022
• Molar Refractivity: 25.4743 cm^3
• Polarizability: 17.14589 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in benzene, ether, pyridine. Very slightly soluble in water
• Apperance: Powder
• Melting Point: 246-250°C

Safety Information

• RTECS: OW1400000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN2026
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 26/27/28-33-50/53
• Safety Statements: 13-28-36-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H310-H330-H373-H400-H410
• GHS Precautionary statements: P280H-P273-P302+P352-P309+P311-P420A-P501A

Product Information

• Purity: 96%, Hg 63.5%