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Chromic Acid (H2Cro4), Bis(Triphenylsilyl) Ester
CAS: 1624-02-8 | C36H30CrO4Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1624-02-8
Molecular Formula:
C36H30CrO4Si2
Molecular Mass:
634.80 g/mol
Names and Synonyms:
Chromic Acid (H2Cro4), Bis(Triphenylsilyl) Ester
Chromic acid (H2CrO4), bis(triphenylsilyl) ester
Silanol, triphenyl-, diester with chromic acid (H2CrO4)
Silanol, triphenyl-, chromate(VI)
Bis(triphenylsilyl) chromate
Identifiers:
SMILES:
[Cr+2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O].[O]
InChI:
InChI=1S/2C18H15OSi.Cr.2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;;/q2*-1;+2;;
Key Properties
Melting Point
155-156 °C
CAS Common Chemistry
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 | 634.80 g/mol | CAS Common Chemistry |
| 634.8000000000003 g/mol | RDKit | |
| 634.1087700000002 g/mol | RDKit | |
| Canonical SMILES | O=[Cr](=O)(O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)O[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/2C18H15OSi.Cr.2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;;/q2*-1;+2;; | CAS Common Chemistry |
| InChI Key | InChIKey=AQLZCGLPNYEIDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-156 °C | CAS Common Chemistry |
| Name | Chromic acid (H2CrO4), bis(triphenylsilyl) ester | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 103.12 Ų | RDKit |
| LogP | 1.7875000000000003 | RDKit |
| Molar Refractivity | 169.33699999999956 | RDKit |
