≥97% 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.
| Canonical Smiles | CC(C)(C)OC(=O)N1C=C(C=N1)Br |
|---|---|
| IUPAC Name | tert-butyl 4-bromopyrazole-1-carboxylate |
| InChIKey | IQEFCRDQVLIADR-UHFFFAOYSA-N |
| INCHI | 1S/C8H11BrN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C=C(C=N1)Br |
| WGK Germany | 3 |
| Molecular Weight | 247.09 |
| Reaxy-Rn | 23448719 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23448719&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 |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazole carboxylic acids and derivatives |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazole-1-carboxylic acid or derivatives - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by 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 | Date | Item |
|---|---|---|---|
 H1912078 | Certificate of Analysis | Mar 04, 2025 | B166128 |
| K2329322 | Certificate of Analysis | Nov 18, 2023 | B166128 |
| K2329323 | Certificate of Analysis | Nov 18, 2023 | B166128 |
| K2329324 | Certificate of Analysis | Nov 18, 2023 | B166128 |
| K2329325 | Certificate of Analysis | Nov 18, 2023 | B166128 |
| K2329326 | Certificate of Analysis | Nov 18, 2023 | B166128 |
| D2230021 | Certificate of Analysis | Mar 03, 2022 | B166128 |
| D2230030 | Certificate of Analysis | Mar 03, 2022 | B166128 |
| D2230031 | Certificate of Analysis | Mar 03, 2022 | B166128 |
| D2230041 | Certificate of Analysis | Mar 03, 2022 | B166128 |
| D2230043 | Certificate of Analysis | Mar 03, 2022 | B166128 |
| Melt Point(°C) | 48-52°C |
|---|---|
| Molecular Weight | 247.090 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246 Da |
| Monoisotopic Mass | 246 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| 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 |
