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Ethyl 5-(4-methoxyphenyl)-1-methyl-1h-pyrazole-3-carboxylate - ≥98% , CAS No.852816-12-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% 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
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
| Canonical Smiles | CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)OC)C |
|---|---|
| IUPAC Name | ethyl 5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate |
| InChIKey | XCVRBXLNJNCVMJ-UHFFFAOYSA-N |
| INCHI | 1S/C14H16N2O3/c1-4-19-14(17)12-9-13(16(2)15-12)10-5-7-11(18-3)8-6-10/h5-9H,4H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)OC)C |
| PubChem CID | 69149154 |
| Molecular Weight | 260.29 |
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 | 260.290 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 260.116 Da |
| Monoisotopic Mass | 260.116 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 303.000 |
| 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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