phenyl(trichloromethyl)mercury

• ChemBase ID: 134460
• Molecular Formular: C7H5Cl3Hg
• Molecular Mass: 396.0636
• Monoisotopic Mass: 395.9163262
• SMILES: c1ccc(cc1)[Hg]C(Cl)(Cl)Cl
• Canonical SMILES: ClC([Hg]c1ccccc1)(Cl)Cl
• InChI: InChI=1S/C6H5.CCl3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H
• InChIKey: MVIAEGXPYBMVPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(trichloromethyl)mercury
• IUPAC Traditional name: phenyl(trichloromethyl)mercury
• Synonyms: (Trichloromethylmercurio)benzene; Phenyl(trichloromethyl)mercury; (三氯甲基汞)苯; 苯基(三氯甲基)汞

Database IDs

• CAS Number: 3294-57-3
• EC Number: 221-960-9
• MDL Number: MFCD00042610
• Beilstein Number: 3662497
• PubChem SID: 162228736; 24887425
• PubChem CID: 76799

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8272
• LogD (pH = 7.4): 3.8272
• Log P: 3.8272
• Molar Refractivity: 45.7544 cm^3
• Polarizability: 25.211765 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-114 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2026
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27/28-33-50/53
• Safety Statements: 13-28-36-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H373-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: 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 2026 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Grade: technical
• Linear Formula: C6H5HgCCl3