≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,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.
| Canonical Smiles | CC1=CN(N=C1Br)C |
|---|---|
| IUPAC Name | 3-bromo-1,4-dimethylpyrazole |
| InChIKey | SEHRYTWQMFUOBZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H7BrN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3 |
| Isomeric SMILES | CC1=CN(N=C1Br)C |
| Alternate CAS | 13745-59-0 |
| Molecular Weight | 175.03 |
| Reaxy-Rn | 507459 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507459&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 | Organohalogen compounds |
| Class | Aryl halides |
| Subclass | Aryl bromides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl bromides |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional 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 |
|---|---|---|---|
 H2308818 | Certificate of Analysis | May 20, 2026 | B587096 |
| H2308819 | Certificate of Analysis | May 20, 2026 | B587096 |
| H2308820 | Certificate of Analysis | May 20, 2026 | B587096 |
| K2526052 | Certificate of Analysis | Jul 20, 2023 | B587096 |
| Molecular Weight | 175.030 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 173.979 Da |
| Monoisotopic Mass | 173.979 Da |
| Topological Polar Surface Area | 17.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 86.500 |
| 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 |
