Description

2,5-Difluoro-4-methylbenzoic acid (CAS No. 103877-80-1) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₆F₂O₂. This compound is characterized by its aromatic ring substituted with two fluorine atoms at the 2- and 5-positions, a methyl group at the 4-position, and a carboxylic acid functional group. It is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research, where fluorinated aromatic compounds are prized for their enhanced stability and bioavailability. Available in >98% purity (HPLC), this product is rigorously tested for consistency and quality, making it ideal for demanding applications in medicinal chemistry, material science, and advanced chemical synthesis. Packaged under inert gas to ensure stability and shipped with comprehensive analytical data (NMR, MS, HPLC).

Properties

• CAS Number: 103877-80-1
• Complexity: 184
• IUPAC Name: 2,5-difluoro-4-methyl-benzoic acid
• InChI: InChI=1S/C8H6F2O2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)
• InChI Key: PWWMQUUDAAWEBK-UHFFFAOYSA-N
• Exact Mass: 172.03358575
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.13
• SMILES: CC1=CC(=C(C=C1F)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 172.03358575
• Synonyms: 2,5-Difluoro-4-methylbenzoic acid, 103877-80-1, DTXSID20545983, DTXCID00496767, 676-403-6, MFCD08063230, 2,5-Difluoro-4-methylbenzoicacid, 2,5-difluoro-4-methyl-benzoic acid, SCHEMBL365017, PWWMQUUDAAWEBK-UHFFFAOYSA-N, 4-methyl-2,5-difluorobenzoic acid, CL4128, AKOS005258848, AC-3956, CS-W003466, GS-4103, SY030911, EN300-104448, Z1198176150

Application

2,5-Difluoro-4-methylbenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, including protease inhibitors and kinase modulators. Its electron-withdrawing fluorine atoms enhance metabolic stability, making it valuable in drug discovery. The compound also serves as a precursor for liquid crystal materials and specialty polymers requiring tailored electronic properties. Researchers leverage its reactivity in cross-coupling reactions to construct complex fluorinated aromatic scaffolds.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (75%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (25%)
• Acute Tox. 4 (25%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (25%)
• STOT SE 3 (75%)

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