mercury(2+) ion 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)

• ChemBase ID: 302274
• Molecular Formular: C6Cl2HgO4
• Molecular Mass: 407.5578
• Monoisotopic Mass: 407.88800684
• SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)[O-])Cl)[O-].[Hg+2]
• Canonical SMILES: [O-]C1=C(Cl)C(=O)C(=C(C1=O)Cl)[O-].[Hg+2]
• InChI: InChI=1S/C6H2Cl2O4.Hg/c7-1-3(9)5(11)2(8)6(12)4(1)10;/h9,12H;/q;+2/p-2
• InChIKey: SWDPQJMNSNNRMW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: mercury(2+) ion 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)
• IUPAC Traditional name: mercury(2+) ion 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)
• Synonyms: 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone mercury(II) salt; Mercury(II) chloranilate; Chloranilic acid mercury(II) salt; 氯冉酸汞(II)盐

Database IDs

• CAS Number: 33770-60-4
• EC Number: 251-672-9
• MDL Number: MFCD00044407

CALCULATED PROPERTIES

• Acid pKa: 2.7185204
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9625866
• LogD (pH = 7.4): -3.3451736
• Log P: 0.7647031
• Molar Refractivity: 65.6468 cm^3
• Polarizability: 15.443259 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: OW2300000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN2025
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/27/28-33-50/53
• Safety Statements: 1/2-13-28-36-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H310-H330-H373-H400-H410
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A

Product Information

• Purity: 99%

REFERENCES

• Reagent for determination of chloride.