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Molecule
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
Identifiers
CAS Registry Number
1624-02-8
SMILES
[Cr+2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O].[O]
InChI Key
AQLZCGLPNYEIDH-UHFFFAOYSA-N
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;;
Names and Synonyms
- Chromic Acid (H2Cro4), Bis(Triphenylsilyl) Ester Synonym
- Chromic acid (H2CrO4), bis(triphenylsilyl) ester Synonym
- Silanol, triphenyl-, diester with chromic acid (H2CrO4) Synonym
- Silanol, triphenyl-, chromate(VI) Synonym
- Bis(triphenylsilyl) chromate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 634.80 g/mol | CAS Common Chemistry |
| 634.8000000000003 g/mol | RDKit | |
| 634.8 g/mol | RDKit | |
| 642.864 g/mol | chempirical lib | |
| 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 |
| 1.7875 | RDKit | |
| Molar Refractivity | 169.33699999999956 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 634.1087700000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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.
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MW = 634.80 g/mol. Edit any field — others recompute live.
