phenylmercurol

• ChemBase ID: 138864
• Molecular Formular: C6H6HgO
• Molecular Mass: 294.70124
• Monoisotopic Mass: 296.01250781
• SMILES: c1ccc(cc1)[Hg]O
• Canonical SMILES: O[Hg]c1ccccc1
• InChI: InChI=1S/C6H5.Hg.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2/q;+1;/p-1
• InChIKey: NWDUDBMLUKJHGK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmercurol
• IUPAC Traditional name: phenylmercurol
• Synonyms: Phenylmercuric hydroxide; 苯基氢氧化汞

Database IDs

• CAS Number: 100-57-2
• EC Number: 202-866-7
• MDL Number: MFCD00002098
• PubChem SID: 162233115
• PubChem CID: 7512

CALCULATED PROPERTIES

• Acid pKa: 15.914749
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.366
• LogD (pH = 7.4): 0.366
• Log P: 0.366
• Molar Refractivity: 28.0389 cm^3
• Polarizability: 18.252293 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: OW4940000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1894
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 25-34-48/24/25-50/53
• Safety Statements: 23-24/25-37-45-60-61
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P310-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1894 6.1/PG 2

Product Information

• Grade: analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C6H6HgO