≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated 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 | CN(C)C1=C(C=C(C=C1)C=O)Br |
|---|---|
| IUPAC Name | 3-bromo-4-(dimethylamino)benzaldehyde |
| InChIKey | VWOYSIGIEVHTRQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H10BrNO/c1-11(2)9-4-3-7(6-12)5-8(9)10/h3-6H,1-2H3 |
| Isomeric SMILES | CN(C)C1=C(C=C(C=C1)C=O)Br |
| Molecular Weight | 228.09 |
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 | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Dialkylarylamines Benzaldehydes 2-bromoanilines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Tertiary amine - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Amine - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | benzaldehydes |
| Boil Point(°C) | 311 |
|---|---|
| Molecular Weight | 228.090 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.995 Da |
| Monoisotopic Mass | 226.995 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 161.000 |
| 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 |
A2607245