chromium(3+) ion tris(2-ethylhexanoate)

• ChemBase ID: 112143
• Molecular Formular: C24H45CrO6
• Molecular Mass: 481.6066
• Monoisotopic Mass: 481.26212166
• SMILES: [Cr+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Cr+3]
• InChI: InChI=1S/3C8H16O2.Cr/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
• InChIKey: WBKDDMYJLXVBNI-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion tris(2-ethylhexanoate)
• IUPAC Traditional name: chromium(3+) tris(2-ethylhexanoate); chromium(3+) ion tris(2-ethylhexanoate)
• Synonyms: CHROMIUM 2-ETHYLHEXANOATE; 2-Ethylhexanoic acid chromium(III) salt; Chromium(III) 2-ethylhexanoate; 2-乙基己酸铬(III)

Database IDs

• CAS Number: 3444-17-5
• EC Number: 222-357-3
• MDL Number: MFCD00014005
• PubChem SID: 162106716
• PubChem CID: 103012

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 36/38-63
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H361-H315-H319
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 50% in 2-ethylhexanoic acid

DETAILS

MP Biomedicals - 05222717

MP Biomedicals Rare Chemical collection