caesium(1+) ion propanoic acid propanoate

• ChemBase ID: 150880
• Molecular Formular: C6H11CsO4
• Molecular Mass: 280.05459
• Monoisotopic Mass: 279.97118483
• SMILES: CCC(=O)O.CCC(=O)[O-].[Cs+]
• Canonical SMILES: CCC(=O)O.CCC(=O)[O-].[Cs+]
• InChI: InChI=1S/2C3H6O2.Cs/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+1/p-1
• InChIKey: WIHYSNKBMOMJGD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: caesium(1+) ion propanoic acid propanoate
• IUPAC Traditional name: caesium(1+) ion propanoic acid propionate
• Synonyms: Cesium propionate, compound with propionic acid; Cesium propionate, complex with propionic acid; 丙酸铯，与丙酸化合; 丙酸铯, 丙酸复合物

Database IDs

• CAS Number: 38869-24-8
• MDL Number: MFCD00014025; MFCD00135401
• PubChem SID: 24860182; 162245040
• PubChem CID: 71311492

CALCULATED PROPERTIES

• Acid pKa: 4.754671
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3392157
• LogD (pH = 7.4): -2.115821
• Log P: 0.47719014
• Molar Refractivity: 28.1077 cm^3
• Polarizability: 6.7159452 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline; powder and chunks
• Melting Point: 160 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3244
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-27-28-36/37/39-45; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 3244 8/PG 2

Product Information

• Compostion: Degree of hydration, ≤1
• Linear Formula: C2H5CO2Cs · xC2H5CO2H

DETAILS

Sigma Aldrich - 333794

Packaging
5, 25 g in glass bottle