Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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.
Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.
| Pubchem Sid | 488200353 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200353 |
| Canonical Smiles | CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br.Br |
| IUPAC Name | 8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrobromide |
| InChIKey | SDQJYYGODYRPBR-UHFFFAOYSA-N |
| INCHI | 1S/C17H18BrNO.BrH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H |
| Isomeric SMILES | CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Br.Br |
| PubChem CID | 23581817 |
| Molecular Weight | 413.15 |
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 | Organoheterocyclic compounds |
| Class | Benzazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzazepines |
| Alternative Parents | O-bromophenols Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl bromides Trialkylamines Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Hydrobromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzazepine - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Phenol - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrobromide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). |
| External Descriptors | Not available |
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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 | Apr 03, 2026 | S275802 | |
| Certificate of Analysis | Apr 03, 2026 | S275802 | |
| Certificate of Analysis | Apr 03, 2026 | S275802 | |
| Certificate of Analysis | Jan 05, 2026 | S275802 | |
| Certificate of Analysis | Dec 12, 2025 | S275802 | |
| Certificate of Analysis | Jan 11, 2024 | S275802 |
| Solubility | Soluble in water to 5 mM, in ethanol to 25 mM and in DMSO to 100 mM |
|---|---|
| Molecular Weight | 413.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 412.981 Da |
| Monoisotopic Mass | 410.983 Da |
| Topological Polar Surface Area | 23.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 318.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |