Description

2-Chloro-4-fluorobenzamide (CAS No. 88578-90-9) is a high-purity fluorinated benzamide derivative with the molecular formula C₇H₅ClFNO. This compound is a valuable intermediate in organic synthesis and pharmaceutical research, featuring both chloro and fluoro substituents on the aromatic ring, which enhance its reactivity and utility in cross-coupling reactions. With a molecular weight of 173.57 g/mol, it is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC). Ideal for medicinal chemistry applications, it serves as a key building block for the development of bioactive molecules, including kinase inhibitors and agrochemicals. Store under inert conditions at 2-8°C to ensure stability.

Properties

• CAS Number: 88578-90-9
• Complexity: 165
• IUPAC Name: 2-chloro-4-fluoro-benzamide
• InChI: InChI=1S/C7H5ClFNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)
• InChI Key: XIQZTMMWBKPFSE-UHFFFAOYSA-N
• Exact Mass: 173.0043696
• Molecular Formula: C7H5ClFNO
• Molecular Weight: 173.57
• SMILES: C1=CC(=C(C=C1F)Cl)C(=O)N
• Topological: 43.1
• Monoisotopic Mass: 173.0043696
• Synonyms: 2-Chloro-4-fluorobenzamide, 88578-90-9, DTXSID80335105, DTXCID90286194, xiqztmmwbkpfse-uhfffaoysa-n, MFCD00042531, SCHEMBL2839520, SCHEMBL4881769, SBB088808, 4-carbamoyl-3-chloro-1-fluorobenzene, AKOS008937562, PS-8645, 2-Chloro-4-fluorobenzamide, AldrichCPR, SY227810, DB-020817, CS-0197474, ST51041436, E73991, Z33546959

Application

2-Chloro-4-fluorobenzamide is widely used as a synthetic intermediate in the preparation of pharmaceuticals, particularly in the development of kinase inhibitors and antimicrobial agents. Its unique halogenated structure makes it a versatile precursor for Suzuki-Miyaura and Buchwald-Hartwig coupling reactions. Researchers also utilize it in the synthesis of fluorinated liquid crystals and agrochemical intermediates due to its electron-withdrawing properties.

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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