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| IUPAC Name: | 2-nitro-4-(trifluoromethyl)benzonitrile |
| Description: | 2-Nitro-4-(trifluoromethyl)benzonitrile (CAS# 778-94-9) is a useful research chemical. |
| Molecular Weight: | 216.12 |
| Molecular Formula: | C8H3F3N2O2 |
| Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N |
| InChI: | InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H |
| InChI Key: | BQCWLXXZTCLGSZ-UHFFFAOYSA-N |
| Boiling Point: | 156-158 °C / 18 mmHg (lit.) |
| Melting Point: | 44-47 °C (lit.) |
| Flash Point: | 112.00 °C |
| Density: | 1.49 g/cm3 |
| Appearance: | Yellow crystalline chunks |
| Storage: | Room temperature. |
| MDL: | MFCD00014684 |
| LogP: | 3.00848 |
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