calcium dirheniumoylolate

• ChemBase ID: 146557
• Molecular Formular: CaO8Re2
• Molecular Mass: 540.4872
• Monoisotopic Mass: 541.83341394
• SMILES: [O-][Re](=O)(=O)=O.[O-][Re](=O)(=O)=O.[Ca+2]
• Canonical SMILES: [O-][Re](=O)(=O)=O.[O-][Re](=O)(=O)=O.[Ca+2]
• InChI: InChI=1S/Ca.8O.2Re/q+2;;;;;;;2*-1
• InChIKey: XUEVHMHMCGDTGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dirheniumoylolate
• IUPAC Traditional name: calcium bis(tetraoxorhenate(1-))
• Synonyms: Calcium perrhenate; 高铼酸钙

Database IDs

• CAS Number: 13768-54-2
• MDL Number: MFCD03427075
• PubChem SID: 162240751; 24878883
• PubChem CID: 16217077

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.8542
• LogD (pH = 7.4): -3.8542
• Log P: -1.5904
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 10.612036 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Linear Formula: Ca(ReO4)2

DETAILS

Sigma Aldrich - 546275

Packaging
5 g in glass bottle