Description

2,6-Difluorobenzamide (CAS No. 18063-03-1) is a high-purity fluorinated benzamide derivative with the molecular formula C₇H₅F₂NO. This compound is a valuable building block in organic synthesis and pharmaceutical research, known for its role as an intermediate in the development of agrochemicals, bioactive molecules, and specialty materials. Its distinct 2,6-difluoro substitution pattern enhances reactivity and selectivity in cross-coupling reactions, making it ideal for Suzuki-Miyaura, Buchwald-Hartwig, and other palladium-catalyzed transformations. Available in ≥98% purity (HPLC), this white to off-white crystalline powder is rigorously tested for consistency, ensuring optimal performance in demanding applications. Packaged under inert gas to prevent degradation, it is supplied in sealed glass vials or bulk quantities with full analytical documentation (GC/MS, NMR, HPLC).

Properties

• CAS Number: 18063-03-1
• Complexity: 153
• IUPAC Name: 2,6-difluorobenzamide
• InChI: InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
• InChI Key: AVRQBXVUUXHRMY-UHFFFAOYSA-N
• Exact Mass: 157.03392011
• Molecular Formula: C7H5F2NO
• Molecular Weight: 157.12
• SMILES: C1=CC(=C(C(=C1)F)C(=O)N)F
• Topological: 43.1
• Monoisotopic Mass: 157.03392011
• Synonyms: 2,6-Difluorobenzamide, 18063-03-1, Benzamide, 2,6-difluoro-, EINECS 241-972-8, SJ2RN214MK, DTXSID4073417, EC 241-972-8, LUFENURON FOR VETERINARY USE IMPURITY A [EP IMPURITY], LUFENURON FOR VETERINARY USE IMPURITY A (EP IMPURITY), DTXCID6035734, 241-972-8, MFCD00007972, UNII-SJ2RN214MK, Benzamide, 2,6-difluoro-; 2,6-Difluorobenzamide; Lufenuron Imp. A (EP), 2,6 difluorobenzamide, 2, 6 difluorobenzamide, 2,6-difluoro-benzamide, SCHEMBL203321, 2,6-Difluorobenzamide, 97%, SCHEMBL4341833, SCHEMBL17672854, CK1202, SBB058357, STL183292, AKOS000119514, CGA 149772, PS-8830, SB67309, AC-10721, SY003317, DB-023784, CS-0017808, D1907, NS00004416, ST50824627, EN300-19935, Q15632832, Z104476138, InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11

Application

2,6-Difluorobenzamide serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and antibacterial agents. Its electron-withdrawing fluorine atoms enhance the electrophilicity of adjacent functional groups, facilitating nucleophilic aromatic substitution (S_NAr) reactions. Researchers also utilize it to develop liquid crystal materials and agrochemicals due to its structural rigidity and metabolic stability. In medicinal chemistry, it is employed to modulate pharmacokinetic properties such as bioavailability and lipophilicity.

Safety and Hazards

GHS Hazard Statements

• H302 (42.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (15%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (35.4%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (42.7%)
• Skin Irrit. 2 (25%)
• Eye Irrit. 2 (25%)
• Acute Tox. 4 (15%)
• STOT SE 3 (35.4%)

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