≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Pubchem Sid | 504757215 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757215 |
| 정식 스마일 | CCOC(=O)C1=CC(=CN=C1)Br |
| IUPAC Name | ethyl 5-bromopyridine-3-carboxylate |
| InChIKey | PCPIANOJERKFJI-UHFFFAOYSA-N |
| INCHI | 1S/C8H8BrNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3 |
| 이성체 SMILES | CCOC(=O)C1=CC(=CN=C1)Br |
| 분자량 | 230.07 |
| Beilstein | 131473 |
| Reaxy-Rn | 131473 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131473&ln= |
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 |
| 분류 | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 J1908159 | Certificate of Analysis | Sep 21, 2026 | E120081 |
| L2308089 | Certificate of Analysis | Sep 08, 2025 | E120081 |
| F1304064 | Certificate of Analysis | Sep 06, 2024 | E120081 |
| K1821133 | Certificate of Analysis | Apr 03, 2024 | E120081 |
| K1821132 | Certificate of Analysis | Apr 03, 2024 | E120081 |
| D2418216 | Certificate of Analysis | Mar 23, 2024 | E120081 |
| D2418217 | Certificate of Analysis | Mar 23, 2024 | E120081 |
| D2418218 | Certificate of Analysis | Mar 23, 2024 | E120081 |
| 용해성 | Soluble in Methanol |
|---|---|
| 감도 | Heat Sensitive |
| 발화점(°C) | 110 °C |
| 끓는점(°C) | 86-92°/0.5mm |
| 녹는점(°C) | 39-42°C |
| 분자량 | 230.060 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 228.974 Da |
| Monoisotopic Mass | 228.974 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
