tricalcium diarsorate

• ChemBase ID: 109083
• Molecular Formular: As2Ca3O8
• Molecular Mass: 398.0724
• Monoisotopic Mass: 397.6902819
• SMILES: [Ca+2].[Ca+2].[Ca+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-]
• Canonical SMILES: [O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
• InChI: InChI=1S/2AsH3O4.3Ca/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6
• InChIKey: RMBBSOLAGVEUSI-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tricalcium diarsorate
• IUPAC Traditional name: tricalcium diarsenate; tricalcium(2+) diarsenate
• Synonyms: Calcium arsenate; CALCIUM ARSENATE; 砷酸钙

Database IDs

• CAS Number: 7778-44-1
• EC Number: 231-904-5
• MDL Number: MFCD00049407
• PubChem SID: 162094947
• PubChem CID: 24501

CALCULATED PROPERTIES

• Acid pKa: 3.1531765
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.27436
• LogD (pH = 7.4): -4.5524263
• Log P: -1.21
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 7.079688 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -80 Mesh Powder
• Density: 3.62; 3.62 g/ml

Safety Information

• RTECS: CG0830000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN1573
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 45-23/25-50/53; R:23/25
• Safety Statements: 53-45-60-61; S:28-45-20/21
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H331-H350-H400-H410
• GHS Precautionary statements: P261-P281-P301+P310-P321-P405-P501A

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05209772

MP Biomedicals Rare Chemical collection