λ7-chromium(7+) ion quinoline chloride trioxidandiide

• ChemBase ID: 177299
• Molecular Formular: C9H7ClCrNO3
• Molecular Mass: 264.60588
• Monoisotopic Mass: 263.95195327
• SMILES: c1ccc2c(c1)cccn2.[Cl-].[Cr+7].[O-2].[O-2].[O-2]
• Canonical SMILES: c1ccc2c(c1)nccc2.[O-2].[O-2].[O-2].[Cl-].[Cr+7]
• InChI: InChI=1S/C9H7N.ClH.Cr.3O/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;/h1-7H;1H;;;;/q;;+7;3*-2/p-1
• InChIKey: OMAWKLLNTNEGFH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^7-chromium(7+) ion quinoline chloride trioxidandiide
• IUPAC Traditional name: λ^7-chromium(7+) ion cinch chloride trioxidandiide
• Synonyms: Quinolinium Chlorochromate

Database IDs

• CAS Number: 108703-35-1
• PubChem SID: 164233209
• PubChem CID: 71751942

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0912383
• LogD (pH = 7.4): 2.1303756
• Log P: 2.1309004
• Molar Refractivity: 39.9793 cm^3
• Polarizability: 17.084923 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Orange/Brown Crystalline Solid
• Melting Point: 127-130°C

DETAILS

Toronto Research Chemicals - Q750000

Selective oxidation reagent for the oxidation primary alcohols in the presence of secondary alcohols.

REFERENCES

• Babalola, G., et al.: Lett. App. Microbiol., 26, 43 (1998)