≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
IC87201, an inhibitor of PSD95-nNOS protein-protein interactions, suppresses NMDAR-dependent NO and cGMP formation.
| Canonical Smiles | C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O |
|---|---|
| IUPAC Name | 2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol |
| InChIKey | QEHVTUCLCBXQIC-UHFFFAOYSA-N |
| INCHI | 1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19) |
| Isomeric SMILES | C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O |
| Molecular Weight | 309.15 |
| Reaxy-Rn | 57035805 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57035805&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 | Benzotriazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzotriazoles |
| Alternative Parents | Phenylmethylamines P-chlorophenols O-chlorophenols Dichlorobenzenes Benzylamines Secondary alkylarylamines Aralkylamines Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzotriazole - 2-chlorophenol - 2-halophenol - 4-halophenol - 4-chlorophenol - Phenylmethylamine - 1,3-dichlorobenzene - Benzylamine - Phenol - Halobenzene - Chlorobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Azole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Secondary amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms). |
| External Descriptors | Not available |
| Solubility | The highest concentration (mg/ml): 28, the highest concentration (mm): 100; Soluble in ethanol, maximum concentration (mg/ml): none, maximum concentration (mm): 100 |
|---|---|
| Molecular Weight | 309.150 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 308.023 Da |
| Monoisotopic Mass | 308.023 Da |
| Topological Polar Surface Area | 73.800 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 |
