Description

Methyl 3-amino-2-fluorobenzoate (CAS: 1195768-18-3) is a high-purity fluorinated benzoate ester with the molecular formula C₈H₈FNO₂. This compound is a versatile intermediate widely used in pharmaceutical research, agrochemical synthesis, and material science applications. Its unique structure, featuring both an amino and a fluorine substituent on the aromatic ring, makes it a valuable building block for the development of novel bioactive molecules and fine chemicals. Our product is rigorously tested for purity (>98% by HPLC) and stability, ensuring consistent performance in synthetic workflows. Supplied as a crystalline solid, it is packaged under inert conditions to maintain integrity and shelf life. Ideal for researchers seeking reliable fluorinated precursors for cross-coupling reactions, amide formations, or heterocycle synthesis.

Properties

• CAS Number: 1195768-18-3
• Complexity: 174
• IUPAC Name: methyl 3-amino-2-fluoro-benzoate
• InChI: InChI=1S/C8H8FNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
• InChI Key: UOYDNSRSUSNCKS-UHFFFAOYSA-N
• Exact Mass: 169.05390666
• Molecular Formula: C8H8FNO2
• Molecular Weight: 169.15
• SMILES: COC(=O)C1=C(C(=CC=C1)N)F
• Topological: 52.3
• Monoisotopic Mass: 169.05390666
• Synonyms: METHYL 3-AMINO-2-FLUOROBENZOATE, 1195768-18-3, Benzoic acid, 3-amino-2-fluoro-, methyl ester, DTXSID80673195, DTXCID90623944, 629-868-4, 3-amino-2-fluoro-benzoic acid methyl ester, 3-amino-2-fluoroBenzoic acid Methyl ester, MFCD12923265, methyl 3-amino-2-fluoro-benzoate, methyl3-amino-2-fluorobenzoate, SCHEMBL1126859, UOYDNSRSUSNCKS-UHFFFAOYSA-N, BCP12561, VXB76818, AKOS016006681, SB31638, AS-42407, SY055338, DB-061571, CS-0038763, M2868, EN300-94294, Z1255462598

Methyl 3-amino-2-fluorobenzoate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and CNS-targeting compounds. Its reactive amino group facilitates further derivatization via acylation or alkylation, while the fluorine atom enhances metabolic stability in drug candidates. This compound is also employed in agrochemical research to develop novel herbicides and pesticides with improved efficacy. Additionally, it finds use in materials science for constructing fluorinated polymers with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H226 (37.5%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (37.5%)
• Acute Tox. 4 (25%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (12.5%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (37.5%)

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