potassium chlorochromiumoylolate

• ChemBase ID: 138064
• Molecular Formular: ClCrKO3
• Molecular Mass: 174.5456
• Monoisotopic Mass: 173.85781072
• SMILES: [O-][Cr](=O)(=O)Cl.[K+]
• Canonical SMILES: [O-][Cr](=O)(=O)Cl.[K+]
• InChI: InChI=1S/ClH.Cr.K.3O/h1H;;;;;/q;2*+1;;;-1/p-1
• InChIKey: YJGACNMQIPBBEH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium chlorochromiumoylolate
• IUPAC Traditional name: potassium chlorochromiumoylolate
• Synonyms: KCC; Potassium chlorochromate; 氯铬酸钾

Database IDs

• CAS Number: 16037-50-6
• EC Number: 240-174-7
• MDL Number: MFCD00064578

CALCULATED PROPERTIES

• Acid pKa: -2.0
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.6182976
• LogD (pH = 7.4): -3.6183
• Log P: -1.3545
• Molar Refractivity: 10.465 cm^3
• Polarizability: 7.6507287 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 290-292°C

Safety Information

• European Hazard Symbols: Nature polluting (N); Oxidising (O); Toxic (T)
• UN Number: 1479; UN1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2; II
• Risk Statements: 45-8-36/37/38; 49-8-43-50/53
• Safety Statements: 53-17-26-27-36/37/39-45; 53-17-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335-H350; H272-H350-H400-H410-H317
• GHS Precautionary statements: P201-P220-P261-P305 + P351 + P338-P308 + P313; P221-P273-P201-P309-P310-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: 97+%
• Empirical Formula (Hill Notation): ClCrKO3

REFERENCES

• Selective oxidant for conversion of benzylic, allylic and secondary saturated alcohols to the aldehydes or ketones: Acta Chem. Scand. B, 41, 313 (1987).