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| IUPAC Name: | 1-(bromomethyl)-2-nitrobenzene |
| Description: | 2-Nitrobenzyl bromide (CAS# 3958-60-9) is a reagent used in the synthesis of 1,3,4-oxadiazole derivatives possessing a benzotriazole moiety leading to anticancer activity. Also used in the preparation of antifungal triazole derivatives. |
| Molecular Weight: | 216.03 |
| Molecular Formula: | C7H6BrNO2 |
| Canonical SMILES: | C1=CC=C(C(=C1)CBr)[N+](=O)[O-] |
| InChI: | InChI=1S/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2 |
| InChI Key: | HXBMIQJOSHZCFX-UHFFFAOYSA-N |
| Boiling Point: | 275.2 °C at 760 mmHg |
| Melting Point: | 44-48 °C |
| Purity: | > 98.0 % (GC) |
| Density: | 1.652 g/cm3 |
| Appearance: | White to light yellow crystal powde |
| Storage: | 2-8 °C |
| MDL: | MFCD00007184 |
| LogP: | 3.01290 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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