Description
Sodium 2,6-difluorobenzoate (CAS No. 6185-28-0) is a high-purity organic compound with the molecular formula C7H3F2NaO2. This white to off-white crystalline powder is a sodium salt derivative of 2,6-difluorobenzoic acid, offering excellent solubility in polar solvents such as water and methanol. With a molecular weight of 180.08 g/mol, it is widely utilized in pharmaceutical synthesis, agrochemical research, and as a key intermediate in organic transformations. Our product is rigorously tested for purity (>98%) by HPLC and meets stringent quality standards for laboratory and industrial use. Proper storage in a cool, dry place under inert conditions is recommended to ensure long-term stability.
Properties
- CAS Number: 6185-28-0
- Complexity: 155
- IUPAC Name: sodium;2,6-difluorobenzoate
- InChI: InChI=1S/C7H4F2O2.Na/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
- InChI Key: NSAGNHHXPUCREY-UHFFFAOYSA-M
- Exact Mass: 179.99987994
- Molecular Formula: C7H3F2NaO2
- Molecular Weight: 180.08
- SMILES: C1=CC(=C(C(=C1)F)C(=O)[O-])F.[Na+]
- Topological: 40.1
- Monoisotopic Mass: 179.99987994
- Synonyms: Sodium 2,6-difluorobenzoate, 6185-28-0, DTXSID40635719, Benzoic acid, 2,6-difluoro-, sodium salt (1:1), DTXCID00586470, 612-558-8, sodium;2,6-difluorobenzoate, MFCD03094398, SCHEMBL3117220, SODIUM2,6-DIFLUOROBENZOATE, CK2198, SBB089606, 2,6-difluorobenzoic acid, sodium salt, AKOS006229205, AS-59051, CS-0157228
Application
Sodium 2,6-difluorobenzoate serves as a versatile building block in medicinal chemistry, particularly in the synthesis of fluorinated active pharmaceutical ingredients (APIs). It is employed in cross-coupling reactions for constructing complex aromatic systems in agrochemicals. Researchers also utilize it as a precursor for ligands in catalysis and as a standard in analytical method development for fluorinated compounds.
Safety and Hazards
GHS Hazard Statements
- 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
- Eye Irrit. 2 (100%)
- STOT SE 3 (100%)
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