dilithium(1+) ion dioxochromiumbis(olate) hydrate

• ChemBase ID: 138681
• Molecular Formular: CrH2Li2O5
• Molecular Mass: 147.89098
• Monoisotopic Mass: 147.96273976
• SMILES: [Li+].[Li+].O.[O-][Cr](=O)(=O)[O-]
• Canonical SMILES: [O-][Cr](=O)(=O)[O-].[Li+].[Li+].O
• InChI: InChI=1S/Cr.2Li.H2O.4O/h;;;1H2;;;;/q;2*+1;;;;2*-1
• InChIKey: BPHMTHBOSQWANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion dioxochromiumbis(olate) hydrate
• IUPAC Traditional name: dilithium(1+) ion chromate(2-) hydrate
• Synonyms: Lithium chromate hydrate; 铬酸锂 水合物

Database IDs

• CAS Number: 7789-01-7
• MDL Number: MFCD00167314
• PubChem SID: 24864998; 162232932
• PubChem CID: 16212570

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -6.720884
• LogD (pH = 7.4): -7.0465326
• Log P: -2.5252
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 6.1887565 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Oxidising (O); Highly toxic (T+)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 45-46-8-36/37/38
• Safety Statements: 53-17-36/37/39-45
• RID/ADR: UN 1479 5.1/PG 3

Product Information

• Grade: technical grade
• Linear Formula: Li2CrO4