chlorochromiumoylol; pyridine

• ChemBase ID: 150922
• Molecular Formular: C5H6ClCrNO3
• Molecular Mass: 215.55514
• Monoisotopic Mass: 214.94412824
• SMILES: c1ccncc1.O[Cr](=O)(=O)Cl
• Canonical SMILES: c1cccnc1.O[Cr](=O)(=O)Cl
• InChI: InChI=1S/C5H5N.ClH.Cr.H2O.2O/c1-2-4-6-5-3-1;;;;;/h1-5H;1H;;1H2;;/q;;+2;;;/p-2
• InChIKey: JWIPGAFCGUDKEY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorochromiumoylol; pyridine
• IUPAC Traditional name: chlorochromiumoylol; pyridine
• Synonyms: Pyridinium chlorochromate on alumina; PCC; Pyridinium chlorochromate; PCC on silica gel; Pyridinium chlorochromate on silica gel; 氧化铝负载氯铬酸吡啶盐; 氯铬酸吡啶盐; 硅胶负载 PCC; 硅胶负载氯铬酸吡啶盐

Database IDs

• CAS Number: 26299-14-9
• EC Number: 247-595-5
• MDL Number: MFCD00013106; MFCD03792548
• Beilstein Number: 7054643
• PubChem SID: 24862631; 24888049; 24880522; 24851416

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205-208 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Oxidising (O); Toxic (T)
• UN Number: 1479; 3077
• German water hazard class: 2
• Hazard Class: 5.1; 9
• Packing Group: 2; 3
• Risk Statements: 49-43-50/53; 49-8-43-50/53
• Safety Statements: 53-36/37-45-61; 53-45-60-61
• GHS Pictograms: GHS03; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H317-H350i-H410
• GHS Precautionary statements: P201-P220-P273-P280-P308 + P313-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; 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 1479 5.1/PG 2; UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (RT); 98%
• Grade: purum
• Bead Size: 200-400 mm
• Capacity: ~20 % (silica gel)
• Linear Formula: C5H6NClCrO3

DETAILS

Sigma Aldrich - 569801

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 366250

Packaging
10 g in glass bottle

Sigma Aldrich - 190144

Application
Stable versatile oxidizing agent for mild and selective oxidation of alcohols.
Used to oxidize an allylic methylene group in a synthesis of α,β-unsaturated lactones from D-glucose using Grubbs-catalyzed ring-closing metathesis.1
Packaging
25, 100, 500 g in glass bottle

Sigma Aldrich - 82807

Other Notes
Efficient oxidizing agent for alcohols1,2,3; Oxidation of allylic and benzylic methylene groups4; Oxidative cleavage of aryl-substituted olefins5