λ6-chromium(6+) ion dichloride dioxidandiide

• ChemBase ID: 303526
• Molecular Formular: Cl2CrO2
• Molecular Mass: 154.9009
• Monoisotopic Mass: 153.8680421
• SMILES: [O-2].[O-2].[Cl-].[Cl-].[Cr+6]
• Canonical SMILES: [O-2].[O-2].[Cl-].[Cl-].[Cr+6]
• InChI: InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+6;2*-2/p-2
• InChIKey: AKNPEMSZIKCOGC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^6-chromium(6+) ion dichloride dioxidandiide
• IUPAC Traditional name: λ^6-chromium(6+) ion dichloride dioxidandiide
• Synonyms: Chromium oxychloride; Chromium(VI) dichloride dioxide; Chromyl chloride; 二氯二氧化铬

Database IDs

• CAS Number: 14977-61-8
• EC Number: 239-056-8
• MDL Number: MFCD00010951
• Merck Index: 142248

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -96.5°C
• Boiling Point: 117°C
• Density: 1.911

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: GB5775000
• European Hazard Symbols: Nature polluting (N); Oxidising (O); Toxic (T)
• UN Number: UN1758
• Hazard Class: 8
• Packing Group: I
• Risk Statements: 49-46-8-35-43-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS05; GHS07; GHS08; GHS09
• GHS Hazard statements: H272-H340-H350-H314-H318-H400-H410-H317
• GHS Precautionary statements: P221-P210-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99.99% (metals basis)