≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | 4-bromo-2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrrole-3-carbonitrile |
| InChIKey | MXCIGSYOLDBUKU-UHFFFAOYSA-N |
| INCHI | 1S/C13H7BrClF3N2/c1-20-11(7-2-4-8(15)5-3-7)9(6-19)10(14)12(20)13(16,17)18/h2-5H,1H3 |
| Isómeros SMILES | CN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl |
| CAS alternativo | 122453-72-9 |
| PubChem CID | 183558 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Chlorobenzenes N-methylpyrroles Aryl chlorides Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyrrole - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-methylpyrrole - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 363.560 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 361.943 Da |
| Monoisotopic Mass | 361.943 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| 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 |
