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| IUPAC Name: | 1-isocyanato-4-(trifluoromethyl)benzene |
| Description: | 4-(Trifluoromethyl)phenyl isocyanate (CAS# 1548-13-6) is a reactant used in the preparation of novel urea and amide derivatives of 2-amino-4-phenylthiazole as antibacterial agents. |
| Molecular Weight: | 187.12 |
| Molecular Formula: | C8H4F3NO |
| Canonical SMILES: | C1=CC(=CC=C1C(F)(F)F)N=C=O |
| InChI: | InChI=1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H |
| InChI Key: | QZTWVDCKDWZCLV-UHFFFAOYSA-N |
| Boiling Point: | 58-59 °C10 mmHg (lit.) |
| Purity: | 95 % |
| Density: | 1.31 g/mL at 25 °C (lit.) |
| Appearance: | Colorless liquid |
| Storage: | 2-8 °C |
| MDL: | MFCD00002028 |
| LogP: | 2.67270 |
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Nitrogen Compounds
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
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