tripotassium trihydrate bis[(carboxylatocarbonyl)oxy]chromio oxalate

• ChemBase ID: 139979
• Molecular Formular: C6H6CrK3O15
• Molecular Mass: 487.39384
• Monoisotopic Mass: 486.80229703
• SMILES: C(=O)(C(=O)O[Cr](OC(=O)C(=O)[O-])OC(=O)C(=O)[O-])[O-].O.O.O.[K+].[K+].[K+]
• Canonical SMILES: O=C(C(=O)[O-])O[Cr](OC(=O)C(=O)[O-])OC(=O)C(=O)[O-].O.O.O.[K+].[K+].[K+]
• InChI: InChI=1S/3C2H2O4.Cr.3K.3H2O/c3*3-1(4)2(5)6;;;;;;;/h3*(H,3,4)(H,5,6);;;;;3*1H2/q;;;+3;3*+1;;;/p-6
• InChIKey: OPOKJTVMNOKKQO-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tripotassium trihydrate bis[(carboxylatocarbonyl)oxy]chromio oxalate
• IUPAC Traditional name: tripotassium trihydrate bis[(carboxylatocarbonyl)oxy]chromio oxalate
• Synonyms: Potassium tris(oxalato)chromate; Potassium chromium(III) oxalate trihydrate; 三(草酸根)铬酸钾; 草酸铬钾 三水合物

Database IDs

• CAS Number: 15275-09-9
• MDL Number: MFCD00150135
• PubChem SID: 162234225; 24858830
• PubChem CID: 71310365

CALCULATED PROPERTIES

• Acid pKa: 0.80091
• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): -9.669294
• LogD (pH = 7.4): -10.076062
• Log P: 0.9606
• Molar Refractivity: 73.0443 cm^3
• Polarizability: 19.959517 Å^3
• Polar Surface Area: 199.29 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: K3Cr(C2O4)3·3H2O

DETAILS

Sigma Aldrich - 311006

Packaging
5, 25 g in glass bottle
Application
Used to prepare Langmuir-Blodgett thin films which have magnetic properties.1