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Details

Stereochemistry ACHIRAL
Molecular Formula C5H5N.ClCrHO3
Molecular Weight 215.555
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRIDINIUM CHLOROCHROMATE

SMILES

O[Cr](Cl)(=O)=O.C1=CC=NC=C1

InChI

InChIKey=JWIPGAFCGUDKEY-UHFFFAOYSA-L
InChI=1S/C5H5N.ClH.Cr.H2O.2O/c1-2-4-6-5-3-1;;;;;/h1-5H;1H;;1H2;;/q;;+2;;;/p-2

HIDE SMILES / InChI

Molecular Formula ClCrHO3
Molecular Weight 136.455
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H5N
Molecular Weight 79.0999
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Pyridinium chlorochromate is a salt of pyridinium and chlorochromic acid. It is used in organic chemistry as an oxidative agent. It was first used for the oxidation of primary and secondary alcohols to carbonyl compounds. Later it has found applications in the oxidation of organometallic compounds, reactions of deoximation, synthesis of unsaturated carbonyls, reactions of oxidative cationic cyclization and oxidation of activated carbon-carbon double bonds. Pyridinium chlorochromate was reported to be used as urine adulterant to conceal the detection of amphetamine-type substances and to produce false negative results for cocaine testing.

Approval Year

Substance Class Chemical
Record UNII
DTV5HU1N27
Record Status Validated (UNII)
Record Version