phenylmercuryylium acetate

• ChemBase ID: 295061
• Molecular Formular: C8H8HgO2
• Molecular Mass: 336.73792
• Monoisotopic Mass: 338.0230725
• SMILES: CC(=O)[O-].c1ccc(cc1)[Hg+]
• Canonical SMILES: [Hg+]c1ccccc1.[O-]C(=O)C
• InChI: InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
• InChIKey: XEBWQGVWTUSTLN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmercuryylium acetate
• IUPAC Traditional name: phenylmercury(II) acetate
• Synonyms: Acetoxy phenylmercury; Acetoxy mercuribenzene; Phenylmercury acetate; 苯基乙酸汞

Database IDs

• CAS Number: 62-38-4
• EC Number: 200-532-5
• MDL Number: MFCD00008691
• Beilstein Number: 3662930
• Merck Index: 147300
• PubChem SID: 180680592
• PubChem CID: 9905811

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: Slightly soluble in water. Soluble in alcohol, benzene and glacial acetic acid
• Apperance: Powder
• Melting Point: 146-153°C
• Density: 2.4

Safety Information

• RTECS: OV6475000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN1674
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 25-34-48/24/25-50/53
• Safety Statements: 23-24/25-37-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H372-H314-H318-H400-H410
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%