caesium(1+) ion formate

• ChemBase ID: 151457
• Molecular Formular: CHCsO2
• Molecular Mass: 177.92289
• Monoisotopic Mass: 177.90310527
• SMILES: C(=O)[O-].[Cs+]
• Canonical SMILES: [O-]C=O.[Cs+]
• InChI: InChI=1S/CH2O2.Cs/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
• InChIKey: ATZQZZAXOPPAAQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: caesium(1+) ion formate
• IUPAC Traditional name: caesium(1+) ion formate
• Synonyms: Formic acid cesium salt; Cesium formate; 甲酸 铯盐; 甲酸铯

Database IDs

• CAS Number: 3495-36-1
• EC Number: 222-492-8
• MDL Number: MFCD00039103
• Beilstein Number: 3912426
• PubChem SID: 24866978; 162245610; 24852602
• PubChem CID: 23663999

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

• Apperance: crystals and lumps

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90% (NT); 98%
• Grade: technical
• Linear Formula: HCOOCs

DETAILS

Sigma Aldrich - 433764

Packaging
25 g in poly bottle