Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CNC2=C1C(=CC=C2)Br |
|---|---|
| IUPAC Name | 4-bromo-2,3-dihydro-1H-indole |
| InChIKey | YCJCSDSXVHEBRU-UHFFFAOYSA-N |
| INCHI | 1S/C8H8BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2 |
| Isomeric SMILES | C1CNC2=C1C(=CC=C2)Br |
| Alternate CAS | 86626-38-2 |
| Molecular Weight | 198.06 |
| Reaxy-Rn | 4377299 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4377299&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Secondary alkylarylamines Aralkylamines Benzenoids Aryl bromides Azacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Aryl halide - Aryl bromide - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Oct 14, 2023 | B590407 | |
| Certificate of Analysis | Oct 14, 2023 | B590407 | |
| Certificate of Analysis | Oct 14, 2023 | B590407 | |
| Certificate of Analysis | Oct 14, 2023 | B590407 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 198.060 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 196.984 Da |
| Monoisotopic Mass | 196.984 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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 |