Description

2-Chloro-4-fluorobenzoic acid (CAS No. 2252-51-9) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄ClFO₂. This fine white to off-white crystalline powder is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 174.56 g/mol, it exhibits excellent solubility in polar organic solvents like methanol, ethanol, and dimethyl sulfoxide (DMSO). The compound’s unique structure, featuring both chloro and fluoro substituents on the aromatic ring, makes it valuable for developing novel active pharmaceutical ingredients (APIs) and specialty chemicals. Our product is rigorously tested by HPLC to ensure ≥98% purity, making it ideal for sensitive applications. Proper storage at 2-8°C in a tightly sealed container ensures long-term stability.

Properties

• CAS Number: 2252-51-9
• Complexity: 163
• IUPAC Name: 2-chloro-4-fluoro-benzoic acid
• InChI: InChI=1S/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
• InChI Key: GRPWQLDSGNZEQE-UHFFFAOYSA-N
• Exact Mass: 173.9883852
• Molecular Formula: C7H4ClFO2
• Molecular Weight: 174.55
• SMILES: C1=CC(=C(C=C1F)Cl)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 173.9883852
• Synonyms: 2-Chloro-4-fluorobenzoic acid, 2252-51-9, Benzoic acid, 2-chloro-4-fluoro-, EINECS 218-845-0, DTXSID90177038, DTXCID5099529, 218-845-0, MFCD00010615, 2-chloro-4-fluoro benzoic acid, 2-chloro-4-fluoro-benzoic acid, 2-Chloro-4-fluorobenzoicacid, 9YN25TY8VV, SCHEMBL195310, 4-Fluoro-2-chlorobenzoic acid, SCHEMBL3152045, 2-chloro 4-fluoro benzoic acid, 4-fluoro-2-chloro-benzoic acid, CS-D1753, SBB003795, STL169009, 2-Chloro-4-fluorobenzoic acid, 99%, AKOS000120087, AC-3928, BS-3950, PB47601, SY005366, DB-011385, NS00049162, ST50406039, EN300-20720, P16531, F2191-0039, Z104480224, InChI=1/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11

Application

2-Chloro-4-fluorobenzoic acid serves as a key intermediate in synthesizing various biologically active compounds, particularly in developing pharmaceutical candidates with modified pharmacokinetic properties. Researchers utilize this compound in Suzuki-Miyaura cross-coupling reactions to create complex biphenyl structures for drug discovery. In material science, it acts as a precursor for liquid crystal materials and specialty polymers. The presence of both halogen substituents makes it valuable for studying structure-activity relationships in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H302 (83.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (81.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (18.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (83.7%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (81.6%)
• Eye Irrit. 2A (18.4%)
• STOT SE 3 (98%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.