≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | C1=C(C=C(C=C1C(F)(F)F)Cl)CBr |
|---|---|
| IUPAC Name | 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene |
| InChIKey | DWXPOGQMJSSFCZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrClF3/c9-4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2 |
| Isomeric SMILES | C1=C(C=C(C=C1C(F)(F)F)Cl)CBr |
| PubChem CID | 3714672 |
| Molecular Weight | 273.48 |
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 | Benzyl bromides Chlorobenzenes Aryl chlorides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzyl halide - Benzyl bromide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Alkyl fluoride - Alkyl bromide - Alkyl halide - Organobromide - Organochloride - 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 |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 273.480 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 271.922 Da |
| Monoisotopic Mass | 271.922 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |
