≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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.
| Pubchem Sid | 504771699 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771699 |
| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)C#N |
| IUPAC Name | 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChIKey | JWCNIIZUTIYXTL-UHFFFAOYSA-N |
| INCHI | 1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-7H,16H2,1-4H3 |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)C#N |
| Peso molecular | 244.1 |
| Reaxy-Rn | 15479610 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15479610&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Aniline and substituted anilines Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Primary amines Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzonitrile - Aniline or substituted anilines - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organic metalloid salt - Organonitrogen compound - Organic metalloid moeity - Amine - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 K2316102 | Certificate of Analysis | Oct 23, 2023 | A590774 |
| K2316103 | Certificate of Analysis | Oct 23, 2023 | A590774 |
| K2316104 | Certificate of Analysis | Oct 23, 2023 | A590774 |
| K2316105 | Certificate of Analysis | Oct 23, 2023 | A590774 |
| K2316106 | Certificate of Analysis | Oct 23, 2023 | A590774 |
| K2316430 | Certificate of Analysis | Oct 23, 2023 | A590774 |
| Peso molecular | 244.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 244.138 Da |
| Monoisotopic Mass | 244.138 Da |
| Topological Polar Surface Area | 68.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| 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 |
