![3-(4-methylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol - ≥95% , CAS No.258356-16-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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3-(4-methylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol - ≥95% , CAS No.258356-16-0
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GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% 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
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
| Canonical Smiles | CC1=CC=C(C=C1)CN2C3=C(C(=O)NC=N3)N=N2 |
|---|---|
| IUPAC Name | 3-[(4-methylphenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one |
| InChIKey | YMNABSZIXFJSPQ-UHFFFAOYSA-N |
| INCHI | 1S/C12H11N5O/c1-8-2-4-9(5-3-8)6-17-11-10(15-16-17)12(18)14-7-13-11/h2-5,7H,6H2,1H3,(H,13,14,18) |
| Isomeric SMILES | CC1=CC=C(C=C1)CN2C3=C(C(=O)NC=N3)N=N2 |
| PubChem CID | 135510377 |
| Molecular Weight | 241.25 |
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 | 241.250 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.096 Da |
| Monoisotopic Mass | 241.096 Da |
| Topological Polar Surface Area | 72.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| 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 |
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