≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Argon charged,Room temperature 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.
| Canonical Smiles | C1CCN(C1)C(=O)C2=CC=C(C=C2)Br |
|---|---|
| IUPAC Name | (4-bromophenyl)-pyrrolidin-1-ylmethanone |
| InChIKey | HVTDUODOHGNXMJ-UHFFFAOYSA-N |
| INCHI | 1S/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2 |
| Isomeric SMILES | C1CCN(C1)C(=O)C2=CC=C(C=C2)Br |
| PubChem CID | 819718 |
| Molecular Weight | 254.12 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 4-halobenzoic acids and derivatives |
| Alternative Parents | Benzamides N-acylpyrrolidines Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - N-acylpyrrolidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring. |
| 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 |
|---|---|---|---|
 L2523588 | Certificate of Analysis | Nov 01, 2025 | M699146 |
| L2523589 | Certificate of Analysis | Nov 01, 2025 | M699146 |
| L2523594 | Certificate of Analysis | Nov 01, 2025 | M699146 |
| L2523596 | Certificate of Analysis | Nov 01, 2025 | M699146 |
| L2523598 | Certificate of Analysis | Nov 01, 2025 | M699146 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 254.120 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 253.01 Da |
| Monoisotopic Mass | 253.01 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
