IUPAC Name: | 2-fluoro-3-(trifluoromethyl)benzoic acid |
Description: | 2-Fluoro-3-(trifluoromethyl)benzoic acid (CAS# 115029-22-6) is a building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is used for the preparation of SGA360 (S282200), a selective modulator of aryl hydrocarbon (Ah) receptor activity that exhibits anti-inflammatory properties. |
Molecular Weight: | 208.11 |
Molecular Formula: | C8H4F4O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)O |
InChI: | InChI=1S/C8H4F4O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14) |
InChI Key: | XVEAMDNSCPPPCP-UHFFFAOYSA-N |
Boiling Point: | 249.6 ℃ at 760 mmHg |
Melting Point: | 126-128 ℃ |
Purity: | 95 % |
Density: | 1.489 g/cm3 |
Appearance: | Off white crystal powder |
Storage: | Keep in dark place, Sealed in dry, 2-8 ℃ |
MDL: | MFCD00040980 |
LogP: | 2.54270 |
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