Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488191267 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191267 |
| Canonical Smiles | CC(=C)C(=O)OCCC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 |
| IUPAC Name | 2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-methylprop-2-enoate |
| InChIKey | VCYCUECVHJJFIQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H17N3O3/c1-12(2)18(23)24-10-9-13-7-8-17(22)16(11-13)21-19-14-5-3-4-6-15(14)20-21/h3-8,11,22H,1,9-10H2,2H3 |
| Isomeric SMILES | CC(=C)C(=O)OCCC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 |
| Molecular Weight | 323.35 |
| Reaxy-Rn | 11330764 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11330764&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 | Tyrosols and derivatives Benzotriazoles 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - Tyrosol derivative - Benzotriazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jul 16, 2025 | H157097 | |
| Certificate of Analysis | Jul 16, 2025 | H157097 | |
| Certificate of Analysis | Jul 16, 2025 | H157097 | |
| Certificate of Analysis | May 26, 2025 | H157097 | |
| Certificate of Analysis | May 26, 2025 | H157097 | |
| Certificate of Analysis | May 26, 2025 | H157097 | |
| Certificate of Analysis | May 26, 2025 | H157097 | |
| Certificate of Analysis | Jul 16, 2024 | H157097 | |
| Certificate of Analysis | Jul 16, 2024 | H157097 | |
| Certificate of Analysis | Jul 16, 2024 | H157097 | |
| Certificate of Analysis | Jul 20, 2023 | H157097 | |
| Certificate of Analysis | Jul 20, 2023 | H157097 | |
| Certificate of Analysis | Jul 20, 2023 | H157097 | |
| Certificate of Analysis | Jul 20, 2023 | H157097 |
| Solubility | Soluble in Toluene |
|---|---|
| Melt Point(°C) | 98 °C |
| Molecular Weight | 323.300 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 323.127 Da |
| Monoisotopic Mass | 323.127 Da |
| Topological Polar Surface Area | 77.200 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| 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 |