≥95% 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.
| Canonical Smiles | C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O |
|---|---|
| IUPAC Name | 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol |
| InChIKey | CHKKZILXOJVMAD-UHFFFAOYSA-N |
| INCHI | 1S/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2 |
| Isomeric SMILES | C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O |
| Alternate CAS | 96549-95-0 |
| PubChem CID | 688251 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Benzotriazoles 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - Tyrosol derivative - Tyrosol - Benzotriazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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 |
| Molecular Weight | 255.270 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 255.101 Da |
| Monoisotopic Mass | 255.101 Da |
| Topological Polar Surface Area | 71.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| 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 |
