Description

2-Fluorobenzoic Acid (CAS No. 445-29-4) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₅FO₂. This white to off-white crystalline powder is a versatile building block in organic synthesis and pharmaceutical research, offering exceptional reactivity due to the electron-withdrawing fluorine substituent at the ortho position. With a melting point of 122-125°C and solubility in organic solvents like ethanol and DMSO, it is ideal for nucleophilic substitution reactions, Suzuki couplings, and as a precursor for agrochemicals. Packaged under inert gas to ensure stability, our ≥98% purity grade meets stringent analytical standards (HPLC, NMR).

Properties

• CAS Number: 445-29-4
• Complexity: 136
• IUPAC Name: 2-fluorobenzoic acid
• InChI: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
• InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N
• Exact Mass: 140.02735756
• Molecular Formula: C7H5FO2
• Molecular Weight: 140.11
• SMILES: C1=CC=C(C(=C1)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 140.02735756
• Physical Description: Off-white crystalline powder;
• Vapor Pressure: 0.05 [mmHg]
• Synonyms: 2-FLUOROBENZOIC ACID, 445-29-4, o-Fluorobenzoic acid, Benzoic acid, 2-fluoro-, Benzoic acid, o-fluoro-, o-Fluorbenzoesaeure, ortho-Fluorobenzoic acid, o-Fluorbenzoesaeure [German], o-Fluorobenzoate, EINECS 207-158-1, NSC 10319, BRN 0971265, 64UZ32KOO4, CHEBI:19577, AI3-33424, NSC-10319, DTXSID1060001, 4-09-00-00950 (Beilstein Handbook Reference), oFluorbenzoesaeure, oFluorobenzoic acid, Benzoic acid, ofluoro, Benzoic acid, 2fluoro, DTXCID5040338, 207-158-1, inchi=1/c7h5fo2/c8-6-4-2-1-3-5(6)7(9)10/h1-4h,(h,9,10, fluorobenzoic acid, MFCD00002405, 2-Fluoro-Benzoic Acid, 41406-98-8, o-Fluorobenzoic Acid; NSC 10319;, Benzoic acid, fluoro-, UNII-64UZ32KOO4, 2-fluoro benzoic acid, WLN: QVR BF, o-FluorbenzoesA currencyure, SCHEMBL97828, 2-Fluorobenzoic acid, 97%, 2-fluorobenzenecarboxylic acid, SCHEMBL232644, SCHEMBL730792, CHEMBL114383, SCHEMBL2164455, SCHEMBL3093108, SCHEMBL6992716, o-Fluorobenzoic acid;NSC 10319, HY-Y1115, NSC10319, SBB040569, STL164084, AKOS000119772, BS-3794, CS-W019975, FF23419, SY001376, DB-024033, F0035, NS00080081, ST50213951, EN300-18334, 10.14272/NSTREUWFTAOOKS-UHFFFAOYSA-N, C02359, D70123, doi:10.14272/NSTREUWFTAOOKS-UHFFFAOYSA-N, Q27109225, Z57914061, F2191-0059, 3U4

Application

2-Fluorobenzoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including non-steroidal anti-inflammatory drugs (NSAIDs) and protease inhibitors. Its ortho-fluorine substitution enables precise modulation of electronic properties in medicinal chemistry applications. The compound is also employed in material science for liquid crystal and polymer synthesis, where fluorine incorporation enhances thermal stability. Researchers utilize it as a derivatization agent in analytical chemistry for HPLC and LC-MS applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (23.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (96.2%): 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 (23.1%)
• STOT SE 3 (96.2%)

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