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.
4-[(1-Naphtho[2,3-d]triazol-1-yl)methyl]benzoic acid is a reference probe for the cell-permeable, non-fluorescent NO probe Ethyl 4-[(3-amino-2-naphthyl)aminomethyl]benzoate hydrochloride .
| Canonical Smiles | C1=CC=C2C=C3C(=CC2=C1)N=NN3CC4=CC=C(C=C4)C(=O)O |
|---|---|
| IUPAC Name | 4-(benzo[f]benzotriazol-3-ylmethyl)benzoic acid |
| InChIKey | CPVINIGXGKJNOS-UHFFFAOYSA-N |
| INCHI | 1S/C18H13N3O2/c22-18(23)13-7-5-12(6-8-13)11-21-17-10-15-4-2-1-3-14(15)9-16(17)19-20-21/h1-10H,11H2,(H,22,23) |
| Isomeric SMILES | C1=CC=C2C=C3C(=CC2=C1)N=NN3CC4=CC=C(C=C4)C(=O)O |
| Molecular Weight | 303.31 |
| Reaxy-Rn | 8924350 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8924350&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | Benzotriazoles Benzoic acids Benzoyl derivatives Triazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthalene - Benzoic acid or derivatives - Benzoic acid - Benzotriazole - Benzoyl - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 303.300 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 303.101 Da |
| Monoisotopic Mass | 303.101 Da |
| Topological Polar Surface Area | 68.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 436.000 |
| 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 |
![4-[(1-Naphtho[2,3-d]triazol-1-yl)methyl]benzoic acid - CAS No(202582-08-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/3/N346524.png)