Description

2-Fluoro-6-nitrobenzoic acid (CAS No. 385-02-4) is a high-purity aromatic carboxylic acid derivative with the molecular formula C₇H₄FNO₄. This compound features a fluorine substituent and a nitro group at the ortho positions relative to the carboxylic acid moiety, making it a versatile building block for synthetic organic chemistry and pharmaceutical research. Its molecular weight is 185.11 g/mol, and it typically presents as a white to off-white crystalline powder with excellent solubility in polar organic solvents such as dimethyl sulfoxide (DMSO) and methanol.

This reagent is rigorously tested for quality via HPLC, NMR, and mass spectrometry to ensure ≥98% purity, meeting the stringent requirements of research and industrial applications. Ideal for use in nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for fluorinated heterocycles, 2-fluoro-6-nitrobenzoic acid is packaged under inert conditions to guarantee stability. Available in quantities ranging from 1g to 1kg, it is supplied with a detailed Certificate of Analysis (CoA) and Safety Data Sheet (SDS).

Properties

• CAS Number: 385-02-4
• Complexity: 227
• IUPAC Name: 2-fluoro-6-nitro-benzoic acid
• InChI: InChI=1S/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
• InChI Key: MPDZCNPDHUUPRL-UHFFFAOYSA-N
• Exact Mass: 185.01243577
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.11
• SMILES: C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]
• Topological: 83.1
• Monoisotopic Mass: 185.01243577
• Synonyms: 2-Fluoro-6-nitrobenzoic acid, 385-02-4, DTXSID20345324, DTXCID30296398, 630-047-8, 6-fluoro-2-nitrobenzoic acid, 2-Fluoro-6-nitrobenzoicacid, Benzoic acid, 2-fluoro-6-nitro-, MFCD01862079, 2-Fluoro-6-nitro-benzoic acid, 6-fluoro-nitrobenzoic acid, SCHEMBL355378, SCHEMBL17819747, 2-Fluoro-6-nitrobenzoic acid #, BCP01141, AC-880, BBL103245, SBB063404, STL557055, AKOS005063885, CS-W002848, FF70329, GS-3528, SY002689, 2-Fluoro-6-nitrobenzoic acid, AldrichCPR, DB-006132, F1107, EN300-90380

Application

2-Fluoro-6-nitrobenzoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and specialty materials. Its reactive nitro and carboxylic acid groups facilitate the construction of complex molecules via amidation, esterification, or reduction pathways. Researchers utilize this compound in the development of enzyme inhibitors and PET radiotracer precursors due to its fluorine moiety. It is also employed in material science for modifying polymer properties and in coordination chemistry as a ligand scaffold.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): 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 (50%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (83.3%)
• Eye Irrit. 2A (83.3%)
• Acute Tox. 4 (16.7%)
• STOT SE 3 (66.7%)

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