bis(pyridin-1-ium) [(oxidodioxochromio)oxy]chromiumoylolate

• ChemBase ID: 90207
• Molecular Formular: C10H12Cr2N2O7
• Molecular Mass: 376.20368
• Monoisotopic Mass: 375.94546573
• SMILES: O([Cr](=O)(=O)[O-])[Cr](=O)(=O)[O-].[nH+]1ccccc1.[nH+]1ccccc1
• Canonical SMILES: c1ccc[nH+]c1.c1ccc[nH+]c1.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• InChI: InChI=1S/2C5H5N.2Cr.7O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;;;;;;;/q;;;;;;;;;2*-1/p+2
• InChIKey: LMYWWPCAXXPJFF-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(pyridin-1-ium) [(oxidodioxochromio)oxy]chromiumoylolate
• IUPAC Traditional name: bis(pyridium) chromate
• Synonyms: Pyridinium dichromate; Cornforth reagent; PDC on silica; Pyridinium dichromate on silica gel; PDC; Pyridinium dichromate; Pyridinium dichromate; 硅胶负载 PDC; 硅胶负载重铬酸吡啶盐; 重铬酸吡啶鎓

Database IDs

• CAS Number: 20039-37-6
• EC Number: 243-478-8
• MDL Number: MFCD04041078; MFCD00013105
• PubChem SID: 162077045; 24880523
• PubChem CID: 2724130
• Chemspider ID: 2006289
• Wikipedia Title: Cornforth_reagent

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -8.234395
• LogD (pH = 7.4): -8.2344
• Log P: -3.7068
• Molar Refractivity: 10.0076 cm^3
• Polarizability: 11.546313 Å^3
• Polar Surface Area: 123.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in water
• Apperance: orange to brown solid
• Melting Point: 152-153°C; ca 145-147°C
• Boiling Point: 145–147 °C
• Density: 1.713

Safety Information

• Storage Warning: Highly Flammable/Oxidising Agent/Corrosive/Carcinogenic/Hygroscopic/Store under Argon; Hygroscopic
• European Hazard Symbols: Nature polluting (N); Oxidising (O); Oxidizing (O); Toxic (T); Toxic (T)
• UN Number: 3077; UN3087
• German water hazard class: 2
• Hazard Class: 5.1; 9
• Packing Group: 3; II
• Risk Statements: 49-34-50/53; 49-8-43-50/53; R8 R43 R49 R50
• Safety Statements: 53-17-20-24-37-45-57; 53-26-36/37/39-45-61; S17 S20 S24 S37 S45 S53 S57
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H314-H350i-H400-H411; H350-H400-H410-H317
• GHS Precautionary statements: P201-P220-P273-P280-P305 + P351 + P338-P310; P261-P280-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Particle Size: 200-400 mesh
• Extent of Labeling: 20 wt. % silica gel loading

DETAILS

Sigma Aldrich - 569828

Packaging
25, 100 g in glass bottle

REFERENCES

• Selective oxidant which can be used in dichloromethane to convert primary alcohols to aldehydes: Tetrahedron Lett., 399 (1979). Can also be used catalytically in combination with Sodium percarbonate, A16045, as co-oxidant for conversion of allylic and benzylic alcohols to aldehydes under phase-transfer conditions: Tetrahedron Lett., 35, 1989 (1994). Under the same conditions, ɑ-functionalized benzylic alcohols undergo oxidative cleavage: Synth. Commun., 25, 2051 (1995).