caesium(1+) ion hydrogen carbonate

• ChemBase ID: 109217
• Molecular Formular: CHCsO3
• Molecular Mass: 193.92229
• Monoisotopic Mass: 193.89801989
• SMILES: [Cs+].OC(=O)[O-]
• Canonical SMILES: [O-]C(=O)O.[Cs+]
• InChI: InChI=1S/CH2O3.Cs/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
• InChIKey: ZMCUDHNSHCRDBT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: caesium(1+) ion hydrogen carbonate
• IUPAC Traditional name: caesium(1+) bicarbonate; caesium(1+) ion bicarbonate
• Synonyms: CESIUM BICARBONATE; Cesium hydrogen carbonate; Cesium hydrogencarbonate; Cesium bicarbonate; Caesium bicarbonate; 碳酸氢铯

Database IDs

• CAS Number: 15519-28-5; 29703-01-3
• EC Number: 249-784-8
• MDL Number: MFCD00010961
• PubChem SID: 162094913; 24853052
• PubChem CID: 2724157; 2734983
• Chemspider ID: 2006316
• Wikipedia Title: Caesium_bicarbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 20.3353 cm^3
• Polarizability: 3.759794 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline Aggregates
• Melting Point: 175°C dec.

Safety Information

• Storage Warning: Hygroscopic
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.9%; 99.99% (metals basis)
• Linear Formula: CsHCO3

DETAILS

Sigma Aldrich - 218227

Packaging
25, 100 g in glass bottle