dicaesium(1+) ion [(oxidodioxochromio)oxy]chromiumoylolate

• ChemBase ID: 295505
• Molecular Formular: Cr2Cs2O7
• Molecular Mass: 481.7989
• Monoisotopic Mass: 481.65631934
• SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Cs+].[Cs+]
• Canonical SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Cs+].[Cs+]
• InChI: InChI=1S/2Cr.2Cs.7O/q;;2*+1;;;;;;2*-1
• InChIKey: AQWIYQPYXQGBQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicaesium(1+) ion [(oxidodioxochromio)oxy]chromiumoylolate
• IUPAC Traditional name: dicaesium(1+) ion chromate
• Synonyms: Cesium dichromate; 重铬酸铯

Database IDs

• CAS Number: 13530-67-1
• EC Number: 236-879-4
• MDL Number: MFCD00049436
• PubChem SID: 180681036
• PubChem CID: 3084158

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -8.234395
• LogD (pH = 7.4): -8.2344
• Log P: -3.7068
• Molar Refractivity: 10.0076 cm^3
• Polarizability: 11.546313 Å^3
• Polar Surface Area: 123.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Coarse Powder

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Nature polluting (N); Oxidising (O); Toxic (T)
• UN Number: UN3087
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 49-8-34-43-50/53
• Safety Statements: 53-17-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS03; GHS07; GHS08; GHS09
• GHS Hazard statements: H350-H272-H400-H410-H317
• GHS Precautionary statements: P221-P210-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%; 99.8% (metals basis)