Description

3-Fluorobenzoic Acid (CAS No. 455-38-9) 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, pharmaceutical research, and material science. With a molecular weight of 140.11 g/mol, it exhibits excellent solubility in organic solvents like ethanol, methanol, and dimethyl sulfoxide (DMSO), while being sparingly soluble in water. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in tightly sealed amber glass bottles to prevent moisture absorption and degradation. Ideal for nucleophilic substitution reactions, Suzuki couplings, and as a precursor for fluorinated liquid crystals or active pharmaceutical ingredients (APIs).

Key Features:

• IUPAC Name: 3-fluorobenzoic acid
• Synonyms: m-Fluorobenzoic acid, Benzoic acid 3-fluoro-
• Melting Point: 122-125°C
• Storage: Room temperature, desiccated
• Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 455-38-9
• Complexity: 136
• IUPAC Name: 3-fluorobenzoic acid
• InChI: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
• InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N
• Exact Mass: 140.02735756
• Molecular Formula: C7H5FO2
• Molecular Weight: 140.11
• SMILES: C1=CC(=CC(=C1)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 140.02735756
• Physical Description: White to light yellow powder;
• Vapor Pressure: 0.05 [mmHg]
• Synonyms: 3-FLUOROBENZOIC ACID, 455-38-9, m-Fluorobenzoic acid, Benzoic acid, 3-fluoro-, Benzoic acid, m-fluoro-, meta-Fluorobenzoic acid, ELG54JFF34, CHEBI:20021, EINECS 207-248-0, NSC 10320, NSC-10320, DTXSID4060020, NSC176125, mFluorobenzoic acid, Benzoic acid, mfluoro, Benzoic acid, 3fluoro, Benzoic acid, mfluoro (8CI), Benzoic acid, m-fluoro-(8CI), DTXCID9040429, 207-248-0, inchi=1/c7h5fo2/c8-6-3-1-2-5(4-6)7(9)10/h1-4h,(h,9,10, mxnbdfwnyrnibh-uhfffaoysa-n, MFCD00002489, 3-Fluoro-Benzoic Acid, NSC-176125, m-Fluorobenzoic Acid; NSC 10320; NSC 176125;, UNII-ELG54JFF34, SCHEMBL28396, 3-Fluorobenzoic acid, 97%, SCHEMBL142939, SCHEMBL148613, CHEMBL302365, SCHEMBL2163731, SCHEMBL4321490, SCHEMBL28359997, NSC10320, AC7508, SBB052761, STK498748, AKOS000119589, BS-3795, CS-W016469, HY-W015753, SY002150, DB-024078, F0158, NS00043529, ST50823661, EN300-20215, C02364, AE-562/40187179, Q18472686, F2191-0061, Z104477304

Application

3-Fluorobenzoic acid serves as a critical intermediate in pharmaceutical synthesis, particularly for developing fluorinated drug candidates that benefit from enhanced metabolic stability and membrane permeability. In material science, it’s employed to modify polymer properties and create fluorinated liquid crystals for display technologies. Researchers also utilize it as a derivatization agent in analytical chemistry and as a building block for agrochemicals.

Safety and Hazards

GHS Hazard Statements

• H315 (61.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (10.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (60.4%): 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 (61.5%)
• Eye Irrit. 2 (10.4%)
• STOT SE 3 (60.4%)

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