≥97% 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=CC=C2C(=C1)N=NN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
|---|---|
| IUPAC Name | (4-nitrophenyl)methyl benzotriazole-1-carboxylate |
| InChIKey | MKIHFLQNZUDOQW-UHFFFAOYSA-N |
| INCHI | 1S/C14H10N4O4/c19-14(17-13-4-2-1-3-12(13)15-16-17)22-9-10-5-7-11(8-6-10)18(20)21/h1-8H,9H2 |
| Isomeric SMILES | C1=CC=C2C(=C1)N=NN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
| Alternate CAS | 86832-06-6 |
| PubChem CID | 20498347 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Nitrobenzenes Benzotriazoles Nitroaromatic compounds Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzyloxycarbonyl - Benzotriazole - Nitrobenzene - Nitroaromatic compound - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 298.250 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 298.07 Da |
| Monoisotopic Mass | 298.07 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 420.000 |
| 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-Nitrobenzyl 1H-benzo[d][1，2，3]triazole-1-carboxylate - ≥97% CAS No(86832-06-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/7/N770627.jpg)