≥90% 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.
| Canonical Smiles | C1CN(C=CC(=N1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)Br |
|---|---|
| IUPAC Name | 1-(4-bromophenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine |
| InChIKey | SRACTDDFRLXRBS-UHFFFAOYSA-N |
| INCHI | 1S/C12H10BrF3N2O2S/c13-9-1-3-10(4-2-9)21(19,20)18-7-5-11(12(14,15)16)17-6-8-18/h1-5,7H,6,8H2 |
| Isomeric SMILES | C1CN(C=CC(=N1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)Br |
| PubChem CID | 5125420 |
| Molecular Weight | 383.19 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Bromobenzenes 1,4-diazepines Organosulfonamides Aryl bromides Sulfonyls Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Para-diazepine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Ketimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organobromide - Organohalogen compound - Alkyl halide - Imine - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 383.190 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 381.96 Da |
| Monoisotopic Mass | 381.96 Da |
| Topological Polar Surface Area | 58.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 532.000 |
| 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 |
![1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine - ≥90% CAS No(478259-66-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/9/B937323.jpg)