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Cornforth Reagent
CAS: 20039-37-6 | C5H7Cr2NO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20039-37-6
Molecular Formula:
C5H7Cr2NO7
Molecular Mass:
297.10 g/mol
Names and Synonyms:
Cornforth Reagent
Chromic acid (H2Cr2O7), compd. with pyridine (1:2)
Pyridine, compd. with dichromic acid (H2Cr2O7) (2:1)
Dichromic acid (H2Cr2O7), compd. with pyridine (1:2)
Pyridine, compd. with chromic acid (H2Cr2O7) (2:1)
Dipyridinium dichromate
Bis(pyridinium) dichromate
Identifiers:
SMILES:
[Cr+].[Cr+].[OH-].[OH-].[O].[O].[O].[O].[O].c1ccncc1
InChI:
InChI=1S/C5H5N.2Cr.2H2O.5O/c1-2-4-6-5-3-1;;;;;;;;;/h1-5H;;;2*1H2;;;;;/q;2*+1;;;;;;;/p-2
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 | 297.10 g/mol | CAS Common Chemistry |
| 297.103 g/mol | RDKit | |
| 296.90326656400003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cornforth_reagent | CAS Common Chemistry |
| Canonical SMILES | O=[Cr](=O)(O)O[Cr](=O)(=O)O.N=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5N.2Cr.2H2O.5O/c1-2-4-6-5-3-1;;;;;;;;;/h1-5H;;;2*1H2;;;;;/q;2*+1;;;;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=BNSOYWDFFBDEFB-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Dipyridinium dichromate | CAS Common Chemistry |
| Cornforth reagent | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 215.39 Ų | RDKit |
| LogP | 0.12899999999999995 | RDKit |
| Molar Refractivity | 31.541099999999997 | RDKit |
