Description

2,3,5,6-Tetrafluoroaniline (CAS No. 700-17-4) is a high-purity fluorinated aromatic amine with the molecular formula C₆H₃F₄N. This specialized chemical is widely utilized in advanced organic synthesis, pharmaceutical intermediates, and agrochemical research due to its unique electron-withdrawing properties imparted by the tetrafluoro substitution. The compound is supplied as a clear to pale-yellow liquid or crystalline solid, with a purity of ≥98% (GC), ensuring consistency for sensitive applications. Its IUPAC name is 2,3,5,6-tetrafluoroaniline, and it is also known by synonyms such as EINECS 211-840-4 and NSC 88347. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 700-17-4
• Complexity: 129
• IUPAC Name: 2,3,5,6-tetrafluoroaniline
• InChI: InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
• InChI Key: SPSWJTZNOXMMMV-UHFFFAOYSA-N
• Exact Mass: 165.02016175
• Molecular Formula: C6H3F4N
• Molecular Weight: 165.09
• SMILES: C1=C(C(=C(C(=C1F)F)N)F)F
• Topological: 26
• Monoisotopic Mass: 165.02016175
• Synonyms: 2,3,5,6-TETRAFLUOROANILINE, EINECS 211-840-4, NSC 88347, DTXSID30220259, DTXCID80142750, 211-840-4, 700-17-4, 2,3,5,6-Tetrafluoraniline, Benzenamine, 2,3,5,6-tetrafluoro-, MFCD00007644, L6G8W27VFU, 2,3,5,6-tetrafluorophenylamine, NSC-88347, EN300-21012, 2,3,5,6-Tetrafluorobenzenamine, NSC88347, UNII-L6G8W27VFU, SCHEMBL461597, 2,3,5, 6-tetrafluoroaniline, 2,3,5,6-tetrafluoro-aniline, SCHEMBL5508757, SCHEMBL6653730, Aniline, 2,3,5,6-tetrafluoro-, BDBM626097, BBL027651, SBB028353, STK301533, 2,3,5,6-Tetrafluoroaniline, 97%, 1-Amino-2,3,5,6-tetrafluorobenzene, AKOS000120692, FT02281, SB76283, AC-13876, BP-10065, PS-10169, SY048525, DB-055367, CS-0121649, NS00041972, ST51041391, T1028, Z104486110

Application

2,3,5,6-Tetrafluoroaniline serves as a key building block in the synthesis of fluorinated pharmaceuticals, agrochemicals, and liquid crystal materials. Its electron-deficient aromatic ring makes it ideal for nucleophilic substitution reactions in medicinal chemistry. Researchers also employ it as a precursor for advanced polymers and ligands in catalysis. The compound’s fluorine-rich structure enhances metabolic stability in drug development.

Safety and Hazards

GHS Hazard Statements

• H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (12.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87.2%): 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 (12.8%)
• Acute Tox. 4 (12.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (12.8%)
• STOT SE 3 (87.2%)

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