Description

2-Chloro-4-(trifluoromethoxy)aniline (CAS No. 6695-61-0) is a high-purity specialty chemical with the molecular formula C₇H₅ClF₃NO. This aromatic amine features a chloro-substituted aniline core with a trifluoromethoxy group at the 4-position, offering unique reactivity for advanced synthetic applications. The compound is supplied as a crystalline solid with ≥98% purity (HPLC), ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research. Its electron-withdrawing trifluoromethoxy group enhances electrophilic substitution potential, while the amine functionality provides versatile coupling opportunities. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 6695-61-0
• 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

This compound serves as a key building block in the synthesis of bioactive molecules, particularly in developing trifluoromethoxy-containing pharmaceuticals and crop protection agents. Researchers utilize it as a precursor for heterocyclic compounds in medicinal chemistry programs. The trifluoromethoxy group’s metabolic stability makes it valuable for structure-activity relationship (SAR) studies in drug discovery.

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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