Description
3-Amino-4-fluorobenzoic acid (CAS No. 2365-85-7) is a high-purity fluorinated aromatic compound with the molecular formula C7H6FNO2. This fine chemical is characterized by its white to off-white crystalline powder appearance and is widely utilized in pharmaceutical, agrochemical, and material science research. With a molecular weight of 155.13 g/mol, it features both an amino (–NH2) and a carboxylic acid (–COOH) functional group on a fluorinated benzene ring, making it a versatile intermediate for synthesis. Suitable for HPLC, LC-MS, and NMR analysis, this product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed packaging under inert conditions to guarantee stability. Ideal for coupling reactions, heterocycle synthesis, and as a building block for bioactive molecules.
Properties
- CAS Number: 2365-85-7
- Complexity: 163
- IUPAC Name: 3-amino-4-fluoro-benzoic acid
- InChI: InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
- InChI Key: WFSPEVFSRUTRCN-UHFFFAOYSA-N
- Exact Mass: 155.03825660
- Molecular Formula: C7H6FNO2
- Molecular Weight: 155.13
- SMILES: C1=CC(=C(C=C1C(=O)O)N)F
- Topological: 63.3
- Monoisotopic Mass: 155.03825660
- Synonyms: 3-Amino-4-fluorobenzoic acid, 2365-85-7, Benzoic acid, 3-amino-4-fluoro-, REU8GMY5DP, EINECS 219-122-2, NSC-127014, WFSPEVFSRUTRCN-UHFFFAOYSA-, DTXSID50178329, 4-FLUORO-3-AMINOBENZOIC ACID, NSC 127014, DTXCID30100820, 219-122-2, inchi=1/c7h6fno2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3h,9h2,(h,10,11), 3-amino-4-fluoro-benzoic acid, MFCD00130055, NSC127014, UNII-REU8GMY5DP, SCHEMBL397973, BBL028248, CK1082, SBB063433, STL247958, AKOS001430836, AC-3883, CS-W016253, DS-1637, PS-8864, SB76729, SY009032, 3-Amino-4-fluorobenzoic acid, AldrichCPR, DB-023840, A1972, NS00048761, EN300-29498, Z283856672
Application
3-Amino-4-fluorobenzoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and antimicrobial agents. Its reactive sites enable facile derivatization for combinatorial chemistry and peptide mimetics. Researchers also employ it in the development of liquid crystal materials and agrochemicals due to its aromatic fluorine moiety.
Safety and Hazards
GHS Hazard Statements
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (66.7%): 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. 2A (100%)
- STOT SE 3 (66.7%)
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