calcium diformate

• ChemBase ID: 109074
• Molecular Formular: C2H2CaO4
• Molecular Mass: 130.11288
• Monoisotopic Mass: 129.95789952
• SMILES: [Ca+2].[O-]C=O.[O-]C=O
• Canonical SMILES: [O-]C=O.[O-]C=O.[Ca+2]
• InChI: InChI=1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
• InChIKey: CBOCVOKPQGJKKJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium diformate
• IUPAC Traditional name: calcium(2+) bis(formira); calcium bis(formira); calcium diformate
• Synonyms: CALCIUM FORMATE; formic acid calcium salt; calcoform; Calcium formate; 甲酸钙

Database IDs

• CAS Number: 544-17-2
• EC Number: 208-863-7
• MDL Number: MFCD00036108
• PubChem SID: 162094966
• PubChem CID: 10997
• Chemspider ID: 10531
• KEGG ID: C18586
• Wikipedia Title: Calcium_formate

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 16.1 g/100 mL (0 °C) ; 16.6 g/100 mL (20°C) ; 18.4 g/100 mL (100 °C) in water; insoluble in alcohol
• Apperance: white powder
• Melting Point: >300°C; decomposes at 300°C
• Density: 2.009 g/cm^3; 2.02
• Odor: weak, caramel-like odor

Safety Information

• RTECS: LQ5600000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05209738

MP Biomedicals Rare Chemical collection