Description

4-Bromo-3-chloro-2-fluorobenzoic acid (CAS No. 194804-94-9) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₃BrClFO₂. This compound is a valuable building block in synthetic organic chemistry, particularly in pharmaceutical and agrochemical research. Its unique substitution pattern (bromo, chloro, and fluoro groups at the 4, 3, and 2 positions, respectively) makes it an excellent precursor for designing complex molecules via cross-coupling reactions, nucleophilic substitutions, or carboxyl group transformations. Available in ≥95% purity (HPLC), it is supplied as a white to off-white crystalline powder with strict quality control to ensure batch-to-batch consistency. Suitable for use in medicinal chemistry, material science, and as a ligand or intermediate in catalytic systems. Store in a cool, dry place under inert conditions.

Properties

• CAS Number: 194804-94-9
• Complexity: 190
• IUPAC Name: 4-bromo-3-chloro-2-fluoro-benzoic acid
• InChI: InChI=1S/C7H3BrClFO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2H,(H,11,12)
• InChI Key: KPMQBAAFCDKHGV-UHFFFAOYSA-N
• Exact Mass: 251.89890
• Molecular Formula: C7H3BrClFO2
• Molecular Weight: 253.45
• SMILES: C1=CC(=C(C(=C1C(=O)O)F)Cl)Br
• Topological: 37.3
• Monoisotopic Mass: 251.89890
• Synonyms: 4-Bromo-3-chloro-2-fluorobenzoic acid, 194804-94-9, 818-150-8, MFCD16622238, Benzoic acid, 4-bromo-3-chloro-2-fluoro-, SCHEMBL7495208, UHA80494, 4-Bromo-3-chloro-2-fluorobenzoicacid, AKOS025290453, s10838, 4-Bromo-3-chloro-2-fluoro-benzoic acid, CS-16487, SY157849, DB-330315, CS-0098670, 2-FLUORO-3-CHLORO-4-BROMOBENZOIC ACID, EN300-180362, A880178, Z1269229072

Application

4-Bromo-3-chloro-2-fluorobenzoic acid is widely used as a versatile intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its halogen-rich structure enables efficient Suzuki-Miyaura or Buchwald-Hartwig coupling reactions for drug discovery. Researchers employ it to develop fluorinated bioactive compounds, leveraging the enhanced metabolic stability imparted by the fluorine atom. The carboxyl group allows further derivatization into esters, amides, or acyl halides for diverse applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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