Atomfair 4-Amino-2,6-difluorobenzotrifluoride C7H4F5N CAS 123950-44-7

Description

4-Amino-2,6-difluorobenzotrifluoride (CAS No. 123950-44-7) is a high-purity fluorinated aromatic amine with the molecular formula C₇H₄F₅N. This compound, also known as 3,5-difluoro-4-(trifluoromethyl)aniline, is a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. Its unique structure, featuring both amino and trifluoromethyl groups on a difluorinated benzene ring, enables precise reactivity for nucleophilic substitutions and cross-coupling reactions. Suitable for researchers and industrial applications, this product is available in >98% purity (GC) with rigorous QC testing to ensure consistency. Store under inert conditions to maintain stability.

Properties

• CAS Number: 123950-44-7
• Complexity: 168
• IUPAC Name: 3,5-difluoro-4-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H4F5N/c8-4-1-3(13)2-5(9)6(4)7(10,11)12/h1-2H,13H2
• InChI Key: YJWFKYOOAXZKQA-UHFFFAOYSA-N
• Exact Mass: 197.02638994
• Molecular Formula: C7H4F5N
• Molecular Weight: 197.10
• SMILES: C1=C(C=C(C(=C1F)C(F)(F)F)F)N
• Topological: 26
• Monoisotopic Mass: 197.02638994
• Synonyms: 4-Amino-2,6-difluorobenzotrifluoride, 640-311-4, 123950-44-7, 3,5-difluoro-4-(trifluoromethyl)aniline, Benzenamine, 3,5-difluoro-4-(trifluoromethyl)-, MFCD00190122, 3,5-difluoro-4-(trifluoromethyl)phenylamine, SCHEMBL1681660, DTXSID40352070, SBB070370, STK661584, 3,5-Difluoro-4-trifluoromethylaniline, AKOS005525291, PS-11472, ST073016, DB-041752, CS-0315226, H36260

Application

4-Amino-2,6-difluorobenzotrifluoride is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its electron-deficient aromatic ring facilitates reactions like Buchwald-Hartwig amination or Suzuki-Miyaura coupling. The compound is also employed in agrochemical research to develop herbicides and pesticides with enhanced efficacy. Additionally, it serves as a precursor for fluorinated liquid crystals and polymers in material science.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)

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