Back to Search
Pyridinium Chlorochromate
CAS: 26299-14-9 | C5H6ClCrNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26299-14-9
Molecular Formula:
C5H6ClCrNO3
Molecular Mass:
215.56 g/mol
Names and Synonyms:
Pyridinium Chlorochromate
Chromate(1-), chlorotrioxo-, (T-4)-, hydrogen, compd. with pyridine (1:1:1)
Pyridine, chlorotrioxochromate(1-)
Chromate(1-), chlorotrioxo-, (T-4)-, hydrogen, compd. with pyridine (1:1)
Pyridine, trioxochlorochromate(VI)
Chromate(1-), chlorotrioxo-, hydrogen, compd. with pyridine (1:1)
Pyridine, (T-4)-chlorotrioxochromate(1-)
Pyridinium chlorochromate
PCC
PCC (oxidizing agent)
Corey's reagent
Corey reagent
Corey's reagent (oxidation reagent)
Reagents, Corey's
Urine Luck
Identifiers:
SMILES:
Cl.[Cr].[O].[O].[O].c1ccncc1
InChI:
InChI=1S/C5H5N.ClH.Cr.3O/c1-2-4-6-5-3-1;;;;;/h1-5H;1H;;;;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.56 g/mol | CAS Common Chemistry |
| 215.55600000000004 g/mol | RDKit | |
| 214.944128232 g/mol | RDKit | |
| 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 | RDKit |
