Description

Methyl 2-amino-4,5-difluorobenzoate (CAS No. 207346-42-7) is a high-purity fluorinated benzoate derivative with the molecular formula C₈H₇F₂NO₂. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both amino and difluoro substituents on the aromatic ring, enables versatile reactivity for the development of novel compounds. The methyl ester group enhances solubility and facilitates further functionalization. Supplied as a fine crystalline powder, it is rigorously tested for purity (typically ≥97% by HPLC) and stability, ensuring reliable performance in sensitive applications. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 207346-42-7
• Complexity: 201
• IUPAC Name: methyl 2-amino-4,5-difluoro-benzoate
• InChI: InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3
• InChI Key: VIAQNTRKUPBQKR-UHFFFAOYSA-N
• Exact Mass: 187.04448479
• Molecular Formula: C8H7F2NO2
• Molecular Weight: 187.14
• SMILES: COC(=O)C1=CC(=C(C=C1N)F)F
• Topological: 52.3
• Monoisotopic Mass: 187.04448479
• Synonyms: Methyl 2-amino-4,5-difluorobenzoate, 207346-42-7, DTXSID10594187, DTXCID60544950, 821-495-7, Benzoic acid, 2-amino-4,5-difluoro-, methyl ester, 2-AMINO-4,5-DIFLUOROBENZOIC ACID METHYL ESTER, MFCD09264511, Methyl2-Amino-4,5-difluorobenzoate, methyl 2-amino-4,5-difluoro-benzoate, SCHEMBL195591, Methyl 4,5-difluoroanthranilate, VIAQNTRKUPBQKR-UHFFFAOYSA-N, BCP27364, BBL101127, SBB053777, STL554923, TD1173, AKOS005063666, MFCD092664511, AC-3876, CS-W003614, SY014552, TS-02625, DB-007645, EN300-85662, Z594218556, Benzoic acid, 2-?amino-?4,?5-?difluoro-?, methyl ester

Application

Methyl 2-amino-4,5-difluorobenzoate is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, including potential kinase inhibitors and antimicrobial agents. Its difluoro and amino groups make it a versatile precursor for Suzuki coupling and other cross-coupling reactions. Researchers also employ it in the development of advanced materials and liquid crystals due to its electronic properties.

Safety and Hazards

GHS Hazard Statements

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

Hazard Classes and Categories

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

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