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| Classification | Food additive >> Food spice >> Natural spice additives |
|---|---|
| Name | 1,1,3,3,5-Pentamethyl-4,6-Dinitro-2H-Indene |
| Synonyms | 1,1,3,3,5-Pentamethyl-4,6-Dinitro-Indane; 1,1,3,3,5-Pentamethyl-4,6-Dinitroindane; 46376_Riedel |
| Molecular Structure |  |
| Molecular Formula | C14H18N2O4 |
| Molecular Weight | 278.31 |
| CAS Registry Number | 116-66-5 |
| EINECS | 204-149-4 |
| SMILES | C1=C2C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(CC2(C)C)(C)C |
| InChI | 1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3 |
| InChIKey | UHWURQRPEIFIAK-UHFFFAOYSA-N |
| Density | 1.183g/cm3 (Cal.) |
|---|---|
| Boiling point | 351.137°C at 760 mmHg (Cal.) |
| Flash point | 145.288°C (Cal.) |
| SDS | Available |
|---|---|
| (1) | S. S. Golotvin, E. Vodopianov, R. Pol, B. A. Lefebvre, A. J. Williams, R. D. Rutkowske and T. D. Spitzer. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H–13C HSQC spectra, Magn. Reson. Chem. 2007, 45, 803–813 |
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| Market Analysis Reports |
| List of Reports Available for 1,1,3,3,5-Pentamethyl-4,6-Dinitro-2H-Indene |