≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504760022 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760022 |
| Canonical Smiles | CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC=C |
| IUPAC Name | 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol |
| InChIKey | YKONWVIRECCMQE-UHFFFAOYSA-N |
| INCHI | 1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3 |
| Isomeric SMILES | CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC=C |
| Molecular Weight | 265.32 |
| Reaxy-Rn | 537844 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=537844&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,3-triazoles |
| Alternative Parents | Benzotriazoles Para cresols Toluenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - Benzotriazole - P-cresol - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2426984 | Certificate of Analysis | Feb 04, 2024 | H405332 |
| B2426985 | Certificate of Analysis | Feb 04, 2024 | H405332 |
| B2426986 | Certificate of Analysis | Feb 04, 2024 | H405332 |
| B2426987 | Certificate of Analysis | Feb 04, 2024 | H405332 |
| Solubility | Soluble in Toluene |
|---|---|
| Melt Point(°C) | 100 °C |
| Molecular Weight | 265.310 g/mol |
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 265.122 Da |
| Monoisotopic Mass | 265.122 Da |
| Topological Polar Surface Area | 50.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 335.000 |
| 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 |
