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1,4-Bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzene - ≥98% , CAS No.172606-22-3
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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 | CC1=CC(=NN1CC2=CC=C(C=C2)CN3C(=CC(=N3)C)C)C |
|---|---|
| IUPAC Name | 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole |
| InChIKey | WFBNAEBBFHASFJ-UHFFFAOYSA-N |
| INCHI | 1S/C18H22N4/c1-13-9-15(3)21(19-13)11-17-5-7-18(8-6-17)12-22-16(4)10-14(2)20-22/h5-10H,11-12H2,1-4H3 |
| Isomeric SMILES | CC1=CC(=NN1CC2=CC=C(C=C2)CN3C(=CC(=N3)C)C)C |
| PubChem CID | 15190537 |
| Molecular Weight | 294.4 |
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 | 294.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 294.184 Da |
| Monoisotopic Mass | 294.184 Da |
| Topological Polar Surface Area | 35.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 319.000 |
| 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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