≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | tert-butyl 5-nitro-1,3-dihydroisoindole-2-carboxylate |
| InChIKey | QKGLAXAXISGACQ-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O4/c1-13(2,3)19-12(16)14-7-9-4-5-11(15(17)18)6-10(9)8-14/h4-6H,7-8H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)[N+](=O)[O-] |
| PubChem CID | 16450129 |
| Molecular Weight | 264.28 |
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 | Isoindoles and derivatives |
| Subclass | Isoindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindoles |
| Alternative Parents | Isoindolines Nitroaromatic compounds Benzenoids Carbamate esters Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindoline - Isoindole - Nitroaromatic compound - Benzenoid - Carbamic acid ester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2525516 | Certificate of Analysis | Nov 01, 2025 | N728774 |
| L2525517 | Certificate of Analysis | Nov 01, 2025 | N728774 |
| L2525565 | Certificate of Analysis | Nov 01, 2025 | N728774 |
| L2525566 | Certificate of Analysis | Nov 01, 2025 | N728774 |
| Sensitivity | light & Moisture sensitive |
|---|---|
| Molecular Weight | 264.280 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 264.111 Da |
| Monoisotopic Mass | 264.111 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 372.000 |
| 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 |
