≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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.
| ALogP | 1.2 |
|---|
| Canonical Smiles | C1=CNC(=C1Br)C=O |
|---|---|
| IUPAC Name | 3-bromo-1H-pyrrole-2-carbaldehyde |
| InChIKey | LQCFDVADSYYMLI-UHFFFAOYSA-N |
| INCHI | 1S/C5H4BrNO/c6-4-1-2-7-5(4)3-8/h1-3,7H |
| Isomeric SMILES | C1=CNC(=C1Br)C=O |
| Molecular Weight | 174.00 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Aryl-aldehydes |
| Alternative Parents | Substituted pyrroles Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Aryl bromide - Aryl halide - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous halide - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 174.000 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 172.948 Da |
| Monoisotopic Mass | 172.948 Da |
| Topological Polar Surface Area | 32.900 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 96.400 |
| 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 |
