Cas no 1805591-66-5 (2,4-Bis(trifluoromethyl)-5-bromoaniline)

2,4-Bis(trifluoromethyl)-5-bromoaniline is a halogenated aniline derivative featuring two trifluoromethyl groups and a bromine substituent on the aromatic ring. This compound is of significant interest in pharmaceutical and agrochemical research due to its electron-withdrawing properties, which enhance reactivity in electrophilic substitution and cross-coupling reactions. The presence of trifluoromethyl groups improves metabolic stability and lipophilicity, making it valuable in the design of bioactive molecules. The bromine atom serves as a versatile handle for further functionalization via metal-catalyzed transformations. Its high purity and well-defined structure ensure consistent performance in synthetic applications, particularly in the development of fluorinated intermediates for advanced chemical synthesis.
2,4-Bis(trifluoromethyl)-5-bromoaniline structure
1805591-66-5 structure
Product Name:2,4-Bis(trifluoromethyl)-5-bromoaniline
CAS No:1805591-66-5
MF:C8H4BrF6N
MW:308.018482208252
CID:4971100
Update Time:2025-10-16

2,4-Bis(trifluoromethyl)-5-bromoaniline Chemical and Physical Properties

Names and Identifiers

    • 2,4-Bis(trifluoromethyl)-5-bromoaniline
    • Inchi: 1S/C8H4BrF6N/c9-5-2-6(16)4(8(13,14)15)1-3(5)7(10,11)12/h1-2H,16H2
    • InChI Key: WERXNHHDVZXIGL-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(C(F)(F)F)=CC=1C(F)(F)F)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 250
  • XLogP3: 3.7
  • Topological Polar Surface Area: 26

2,4-Bis(trifluoromethyl)-5-bromoaniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013024918-1g
2,4-Bis(trifluoromethyl)-5-bromoaniline
1805591-66-5 97%
1g
1,534.70 USD 2021-06-24
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