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| Related CAS: | 98-95-3 (unlabelled) |
| IUPAC Name: | 1,2,3,4,5-pentadeuterio-6-nitrobenzene |
| Description: | Isotope labelled Nitrobenzene (N493000), used mainly in the production of the chemical precursor aniline as well as in azobenzene synthesis (1). Also may be reduced through magnetic iron oxide nanocrystals (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. |
| Molecular Weight: | 128.14 |
| Molecular Formula: | C6NO2D5 |
| Canonical SMILES: | C1=CC=C(C=C1)[N+](=O)[O-] |
| InChI: | InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D |
| InChI Key: | LQNUZADURLCDLV-RALIUCGRSA-N |
| Boiling Point: | 88 ℃ (12 torr) |
| Purity: | 99 % atom D, for NMR |
| Density: | 1.25 g/cm3 |
| Appearance: | Clear light yellow liquid |
| LogP: | 2.11800 |
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