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Molecule
Pyridinium Chlorochromate
CAS: 26299-14-9 · C5H6ClCrNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26299-14-9
- Molecular Formula
- C5H6ClCrNO3
- Molecular Mass
- 215.56 g/mol
Identifiers
CAS Registry Number
26299-14-9
SMILES
Cl.[Cr].[O].[O].[O].c1ccncc1
InChI Key
HBDYSKVKXMUPKV-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N.ClH.Cr.3O/c1-2-4-6-5-3-1;;;;;/h1-5H;1H;;;;
Names and Synonyms
- Pyridinium Chlorochromate Synonym
- Chromate(1-), chlorotrioxo-, (T-4)-, hydrogen, compd. with pyridine (1:1:1) Synonym
- Pyridine, chlorotrioxochromate(1-) Synonym
- Chromate(1-), chlorotrioxo-, (T-4)-, hydrogen, compd. with pyridine (1:1) Synonym
- Pyridine, trioxochlorochromate(VI) Synonym
- Chromate(1-), chlorotrioxo-, hydrogen, compd. with pyridine (1:1) Synonym
- Pyridine, (T-4)-chlorotrioxochromate(1-) Synonym
- Pyridinium chlorochromate Synonym
- PCC Synonym
- PCC (oxidizing agent) Synonym
- Corey's reagent Synonym
- Corey reagent Synonym
- Corey's reagent (oxidation reagent) Synonym
- Reagents, Corey's Synonym
- Urine Luck Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.56 g/mol | CAS Common Chemistry |
| 215.55600000000004 g/mol | RDKit | |
| 215.556 g/mol | RDKit | |
| 223.617 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pyridinium_chlorochromate | CAS Common Chemistry |
| Canonical SMILES | [H+].O=[Cr](=O)(=O)[Cl-].N=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5N.ClH.Cr.3O/c1-2-4-6-5-3-1;;;;;/h1-5H;1H;;;; | CAS Common Chemistry |
| InChI Key | InChIKey=HBDYSKVKXMUPKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pyridinium chlorochromate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 98.39 Ų | RDKit |
| LogP | 1.1445 | RDKit |
| Molar Refractivity | 33.5445 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.944128232 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 215.56 g/mol. Edit any field — others recompute live.
