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Basic Description
| Synonyms | 5-Bromo-1,3-dimethyl-1H-pyrazole | 5744-70-7 | 5-bromo-1,3-dimethylpyrazole | MFCD08448181 | 1H-Pyrazole, 5-bromo-1,3-dimethyl- | SCHEMBL17790297 | DTXSID20617391 | AKOS006288683 | PB11837 | AC-28107 | DS-16956 | SY025702 | A8189 | AM20100406 | CS-0050658 | FT-0685433 | EN300-645930 | J-5 |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organohalogen compounds
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Class
Aryl halides
- Subclass Aryl bromides
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Class
Aryl halides
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Superclass
Organohalogen compounds
| 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 |
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Names and Identifiers
| Pubchem Sid | 488199908 |
|---|---|
| IUPAC Name | 5-bromo-1,3-dimethylpyrazole |
| INCHI | InChI=1S/C5H7BrN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3 |
| InChIKey | MGDIZQXZNAILTO-UHFFFAOYSA-N |
| Smiles | CC1=NN(C(=C1)Br)C |
| Isomeric SMILES | CC1=NN(C(=C1)Br)C |
| Molecular Weight | 175.029 |
| Reaxy-Rn | 606860 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606860&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2328319 |
Certificate of Analysis | Jun 05, 2023 | B176832 |
| F2328312 |
Certificate of Analysis | Jun 05, 2023 | B176832 |
| F2328313 |
Certificate of Analysis | Jun 05, 2023 | B176832 |
| F2328320 |
Certificate of Analysis | Jun 05, 2023 | B176832 |
| F2328315 |
Certificate of Analysis | Jun 05, 2023 | B176832 |
| F2328330 |
Certificate of Analysis | Jun 05, 2023 | B176832 |
Chemical and Physical Properties
| Molecular Weight | 175.030 g/mol |
|---|---|
| XLogP3 | 1.700 |
| 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 |
Solution Calculators
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