≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(C)(C)C)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-tert-butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChIKey | JGGKCJSMOIHHHW-UHFFFAOYSA-N |
| INCHI | 1S/C16H25BN2O4/c1-14(2,3)18-12-9-8-11(10-13(12)19(20)21)17-22-15(4,5)16(6,7)23-17/h8-10,18H,1-7H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(C)(C)C)[N+](=O)[O-] |
| PubChem CID | 53217134 |
| Molecular Weight | 320.19 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Aniline and substituted anilines Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Boronic acid esters Dioxaborolanes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic metalloid salts Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organometalloid compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic metalloid moeity - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Molecular Weight | 320.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 320.191 Da |
| Monoisotopic Mass | 320.191 Da |
| Topological Polar Surface Area | 76.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 440.000 |
| 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 |
