≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4-Bromo-3-(trifluoromethyl)aniline has been used in the preparation of:
2,5-dibromo-(trifluoromethyl)benzene and 2-bromo-5-iodo-(trifluoromethyl)benzene
AUY954, an aminocarboxylate analog of FTY720, a low nanomolar, monoselective agonist of the sphingosine-1-phosphate receptor
| Canonical Smiles | C1=CC(=C(C=C1N)C(F)(F)F)Br |
|---|---|
| IUPAC Name | 4-bromo-3-(trifluoromethyl)aniline |
| InChIKey | YGNISOAUPSJDJE-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2 |
| Isomeric SMILES | C1=CC(=C(C=C1N)C(F)(F)F)Br |
| WGK Germany | 3 |
| UN Number | 2811 |
| Packing Group | III |
| Molecular Weight | 240.02 |
| Beilstein | 641589 |
| Reaxy-Rn | 641589 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=641589&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2510377 | Certificate of Analysis | Jun 20, 2025 | B752302 |
| F2510378 | Certificate of Analysis | Jun 20, 2025 | B752302 |
| F2510379 | Certificate of Analysis | Jun 20, 2025 | B752302 |
| F2510380 | Certificate of Analysis | Jun 20, 2025 | B752302 |
| F2510381 | Certificate of Analysis | Jun 20, 2025 | B752302 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Air Sensitive |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | >110°(230°F) |
| Boil Point(°C) | 81-84°/0.5mm |
| Melt Point(°C) | 46-49°C |
| Molecular Weight | 240.020 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 238.956 Da |
| Monoisotopic Mass | 238.956 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
