Description

Ethyl 3,4-difluorobenzoate (CAS No. 144267-96-9) is a high-purity fluorinated benzoate ester with the molecular formula C₉H₈F₂O₂. This compound is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique fluorinated aromatic structure. It serves as a versatile building block for the introduction of difluorophenyl motifs into complex molecules. Available in >98% purity (GC), this product is rigorously tested for consistency and quality, ensuring optimal performance in sensitive applications. Packaged under inert gas to maintain stability, it is supplied in amber glass vials or bulk quantities to suit laboratory and industrial needs.

Properties

• CAS Number: 144267-96-9
• Complexity: 184
• IUPAC Name: ethyl 3,4-difluorobenzoate
• InChI: InChI=1S/C9H8F2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
• InChI Key: NKIWNSXGZXESSM-UHFFFAOYSA-N
• Exact Mass: 186.04923582
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.15
• SMILES: CCOC(=O)C1=CC(=C(C=C1)F)F
• Topological: 26.3
• Monoisotopic Mass: 186.04923582
• Synonyms: ethyl 3,4-difluorobenzoate, 144267-96-9, Benzoic acid, 3,4-difluoro-, ethyl ester, DTXSID70371890, DTXCID70322923, 672-013-5, MFCD00272138, ethyl 3,4-difluoro-benzoate, ethyl3,4-difluorobenzoate, ethyl-3,4-difluorobenzoate, SCHEMBL1147208, SBB064627, AKOS004911135, 3,4-Difluoro-benzoic acid ethyl ester, PS-8473, SDCCGMLS-0066195.P001, SY021829, DB-037995, CS-0042769, EN300-132161, Z292646542

Application

Ethyl 3,4-difluorobenzoate is commonly employed as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and liquid crystal materials. Its difluorinated aromatic ring enhances metabolic stability and lipophilicity in drug candidates. Researchers also utilize it to develop fluorinated polymers with tailored electronic properties. The compound’s reactivity with nucleophiles makes it valuable for ester exchange reactions and cross-coupling methodologies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): 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 (100%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)

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