Description
2-Amino-4,6-difluorobenzoic acid (CAS No. 126674-77-9) is a high-purity fluorinated benzoic acid derivative with the molecular formula C7H5F2NO2. This compound features an amino group at the 2-position and fluorine atoms at the 4- and 6-positions, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. Its unique structure enables applications in the synthesis of fluorinated heterocycles, active pharmaceutical ingredients (APIs), and specialty chemicals. Available in ≥98% purity (HPLC), this product is rigorously tested for consistency and quality, ensuring optimal performance in synthetic workflows. Packaged under inert conditions to maintain stability, it is ideal for researchers requiring reliable fluorinated intermediates.
Properties
- CAS Number: 126674-77-9
- Complexity: 188
- IUPAC Name: 2-amino-4,6-difluoro-benzoic acid
- InChI: InChI=1S/C7H5F2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
- InChI Key: TWSZCEBPTKBNBR-UHFFFAOYSA-N
- Exact Mass: 173.02883473
- Molecular Formula: C7H5F2NO2
- Molecular Weight: 173.12
- SMILES: C1=C(C=C(C(=C1N)C(=O)O)F)F
- Topological: 63.3
- Monoisotopic Mass: 173.02883473
- Synonyms: 2-amino-4,6-difluorobenzoic acid, 126674-77-9, DTXSID50562623, DTXCID70513399, 630-216-6, Benzoic acid, 2-amino-4,6-difluoro-, 2-amino-4,6-difluoro-benzoic acid, MFCD03618449, SCHEMBL148335, 2-amino-4,6-difluorobenzoicacid, 2-amino4,6-difluorobenzoic acid, TWSZCEBPTKBNBR-UHFFFAOYSA-N, 2-amino-4,6-difluoro benzoic acid, SBB088732, AKOS009259850, AB15580, CS-W003091, FA54385, AC-24721, DS-12891, SY032789, 2-Amino-4 pound not6-difluorobenzoic acid, DB-002090, EN300-197093, Z362758720
Application
2-Amino-4,6-difluorobenzoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and antimicrobial agents. Its difluorinated aromatic core is valuable for constructing bioactive molecules with enhanced metabolic stability and lipophilicity. Researchers also utilize it in agrochemical development and as a precursor for advanced materials like liquid crystals.
Safety and Hazards
GHS Hazard Statements
- H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Acute Tox. 4 (50%)
- Skin Irrit. 2 (100%)
- Eye Irrit. 2A (100%)
- STOT SE 3 (100%)
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