Description

2-Chloro-4-(trifluoromethoxy)aniline (CAS No. 69695-61-0) is a high-purity aromatic amine derivative with the molecular formula C₇H₅ClF₃NO. This compound features a chloro-substituted aniline core with a trifluoromethoxy group at the 4-position, making it a valuable intermediate for pharmaceutical, agrochemical, and material science research. Its unique electronic and steric properties enable applications in cross-coupling reactions, heterocyclic synthesis, and functional material development. Supplied as a crystalline solid with >98% purity (HPLC), it is rigorously tested for consistency and stability. Ideal for researchers requiring precise functionalization of aniline scaffolds under demanding conditions.

Properties

• CAS Number: 69695-61-0
• Complexity: 176
• IUPAC Name: 2-chloro-4-(trifluoromethoxy)aniline
• InChI: InChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
• InChI Key: YMLWONHDNGICOH-UHFFFAOYSA-N
• Exact Mass: 211.0011760
• Molecular Formula: C7H5ClF3NO
• Molecular Weight: 211.57
• SMILES: C1=CC(=C(C=C1OC(F)(F)F)Cl)N
• Topological: 35.3
• Monoisotopic Mass: 211.0011760
• Synonyms: 2-Chloro-4-(trifluoromethoxy)aniline, 69695-61-0, DTXSID80370112, DTXCID20321148, 627-538-4, MFCD01631704, 6695-61-0, Benzenamine, 2-chloro-4-(trifluoromethoxy)-, 2-chloro-4-(trifluoromethoxy)phenylamine, 2-Chloro-4-trifluoromethoxyaniline, EN300-173489, 2-CHLORO-4-TRIFLUOROMETHOXY-PHENYLAMINE, SCHEMBL1351195, SCHEMBL7817855, 2-chloro4-trifluoromethoxyaniline, 4-trifluoromethoxy-2-chloroaniline, BDBM626050, SBB003433, 2-Chloro-4- trifluoromethoxy aniline, AKOS005259605, AC-3732, CS-W015039, FC69919, PS-8002, SB79178, 2-chloranyl-4-(trifluoromethyloxy)aniline, SY050847, DB-008806, 2-Chloro-4-(trifluoromethoxy)aniline, 97%, C3142, ST50406074, A836612

Application

2-Chloro-4-(trifluoromethoxy)aniline serves as a key building block in the synthesis of bioactive molecules, particularly herbicides and pharmaceuticals. Its electron-withdrawing trifluoromethoxy group enhances reactivity in palladium-catalyzed coupling reactions. Researchers utilize it to develop advanced materials with tailored optical or electronic properties. The compound is also employed in the preparation of dyes and liquid crystals due to its stable aromatic framework.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H334 (97.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

Precautionary Statements

• P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.6%)
• Eye Irrit. 2A (100%)
• Resp. Sens. 1 (97.6%)

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