bis(λ1-copper(1+) ion) tetraiodomercurydiuide

• ChemBase ID: 137784
• Molecular Formular: Cu2HgI4
• Molecular Mass: 835.29988
• Monoisotopic Mass: 835.44773
• SMILES: [Cu+].[Cu+].I[Hg-2](I)(I)I
• Canonical SMILES: I[Hg-2](I)(I)I.[Cu+].[Cu+]
• InChI: InChI=1S/2Cu.Hg.4HI/h;;;4*1H/q2*+1;+2;;;;/p-4
• InChIKey: ASXNLSWYLPNEIU-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(λ^1-copper(1+) ion) tetraiodomercurydiuide
• IUPAC Traditional name: bis(λ^1-copper(1+) ion) tetraiodomercurate(II)
• Synonyms: Copper(I) mercury(II) iodide; Copper(I) tetraiodomercurate(II); 碘化汞(II)铜(I); 四碘汞酸(II)铜(I)

Database IDs

• CAS Number: 13876-85-2
• EC Number: 237-634-4
• MDL Number: MFCD00049450
• PubChem SID: 24870344; 162232045
• PubChem CID: 56846059

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0344
• LogD (pH = 7.4): 3.0344
• Log P: 3.0344
• Molar Refractivity: 53.3632 cm^3
• Polarizability: 31.272139 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 255 °C (dec.)(lit.)
• Density: 6.1 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 3290
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27/28-33-50/53
• Safety Statements: 13-28-45-60-61
• 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 3290 6.1/PG 2

Product Information

• Empirical Formula (Hill Notation): Cu2HgI4

DETAILS

Sigma Aldrich - 466379

Packaging
25 g in glass bottle
Physical properties
Undergoes phase change (α→β) with change in color from red to brownish-black at ~70°C