dilithium(1+) ion [(oxidodioxochromio)oxy]chromiumoylolate hydrate

• ChemBase ID: 145698
• Molecular Formular: Cr2H2Li2O8
• Molecular Mass: 247.88528
• Monoisotopic Mass: 247.88799112
• SMILES: [Li+].[Li+].O.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• Canonical SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Li+].[Li+].O
• InChI: InChI=1S/2Cr.2Li.H2O.7O/h;;;;1H2;;;;;;;/q;;2*+1;;;;;;;2*-1
• InChIKey: VUOBNBITXDPDMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion [(oxidodioxochromio)oxy]chromiumoylolate hydrate
• IUPAC Traditional name: dilithium(1+) ion chromate hydrate
• Synonyms: Lithium dichromate hydrate; 重铬酸锂 水合物

Database IDs

• CAS Number: 52478-50-9
• EC Number: 237-567-0
• MDL Number: MFCD00192251
• PubChem SID: 162239901; 24864963
• PubChem CID: 17749148

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

Safety Information

• European Hazard Symbols: Oxidising (O); Highly toxic (T+)
• German water hazard class: 3
• Risk Statements: 45-46-8-36/37/38-42/43
• Safety Statements: 53-17-22-36/37/39-45
• GHS Pictograms: GHS03; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H317-H319-H334-H335-H340-H350
• GHS Precautionary statements: P201-P220-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges

Product Information

• Grade: technical grade
• Compostion: Cr(VI), 41%
• Empirical Formula (Hill Notation): Cr2Li2O7 · xH2O

DETAILS

Sigma Aldrich - 400882

Packaging
100 g in glass bottle