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4-bromo-1-(methanesulfonylmethyl)-1H-pyrazole - ≥97% , CAS No.1799792-00-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Shipped In
Normal
Purity
≥97%
Names and Identifiers
| Canonical Smiles | CS(=O)(=O)CN1C=C(C=N1)Br |
|---|---|
| IUPAC Name | 4-bromo-1-(methylsulfonylmethyl)pyrazole |
| InChIKey | XMUJWTPEILUXSF-UHFFFAOYSA-N |
| INCHI | 1S/C5H7BrN2O2S/c1-11(9,10)4-8-3-5(6)2-7-8/h2-3H,4H2,1H3 |
| Isomeric SMILES | CS(=O)(=O)CN1C=C(C=N1)Br |
| Molecular Weight | 239.09 |
| Reaxy-Rn | 28346329 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28346329&ln= |
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
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 | 239.090 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.941 Da |
| Monoisotopic Mass | 237.941 Da |
| Topological Polar Surface Area | 60.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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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