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1-(2-Bromoethyl)-4-fluoro-1H-pyrazole - ≥97% , CAS No.1207961-53-2
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
| Canonical Smiles | C1=C(C=NN1CCBr)F |
|---|---|
| IUPAC Name | 1-(2-bromoethyl)-4-fluoropyrazole |
| InChIKey | NWRXKYYAQQNYRV-UHFFFAOYSA-N |
| INCHI | 1S/C5H6BrFN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2 |
| Isomeric SMILES | C1=C(C=NN1CCBr)F |
| PubChem CID | 59191985 |
| Molecular Weight | 193.02 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organohalogen compounds
- Class Aryl halides
- Subclass Aryl fluorides
- Class Aryl halides
- Superclass Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Aryl halides |
| Subclass | Aryl fluorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl fluorides |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl fluoride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl fluorides. These are organic compounds containing the acyl fluoride functional group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 193.020 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 191.97 Da |
| Monoisotopic Mass | 191.97 Da |
| Topological Polar Surface Area | 17.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 91.000 |
| 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 |
Solution Calculators
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Customer Reviews
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