IUPAC Name: | 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoic acid |
Description: | 5-[4-Bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoic Acid is an intermediate in the synthesis of Fluazolate (F407500), the active ingredient in the preparation of agrochemicals and drugs in amorphous form. |
Molecular Weight: | 401.54 |
Molecular Formula: | C12H6BrClF4N2O2 |
Canonical SMILES: | CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)Br)C(F)(F)F |
InChI: | InChI=1S/C12H6BrClF4N2O2/c1-20-10(12(16,17)18)8(13)9(19-20)5-2-4(11(21)22)6(14)3-7(5)15/h2-3H,1H3,(H,21,22) |
InChI Key: | YNMHKERYELPEEF-UHFFFAOYSA-N |
Melting Point: | 172-173°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Off-White Solid |
Storage: | -20°C |
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