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.
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
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- 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 |
2,4-Bis(trifluoromethyl)-5-bromoaniline Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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