≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756886 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756886 |
| Sonrisas canónicas | CC(C)(C)C1=CC(=C(C=C1)C#N)C#N |
| IUPAC Name | 4-tert-butylbenzene-1,2-dicarbonitrile |
| InChIKey | LOTMIRVNJTVTSU-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3 |
| Isómeros SMILES | CC(C)(C)C1=CC(=C(C=C1)C#N)C#N |
| PubChem CID | 122931 |
| Peso molecular | 184.24 |
| Beilstein | 9356 |
| Reaxy-Rn | 2327614 |
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 | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| 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 |
|---|---|---|---|
 J1811212 | Certificate of Analysis | May 21, 2026 | T162154 |
| L2123253 | Certificate of Analysis | Oct 11, 2025 | T162154 |
| L2123254 | Certificate of Analysis | Oct 11, 2025 | T162154 |
| L2123255 | Certificate of Analysis | Oct 11, 2025 | T162154 |
| F2421037 | Certificate of Analysis | Dec 02, 2021 | T162154 |
| Solubilidad | Soluble in methanol |
|---|---|
| Punto de ebullición (°C) | 165-168 °C/6 mmHg(lit.) |
| Punto de fusión (°C) | 49-51°C |
| Peso molecular | 184.240 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 184.1 Da |
| Monoisotopic Mass | 184.1 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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 |
| 1. Ruijing Zhang, Qin Zeng, Xipeng Li, Da Xing, Tao Zhang. (2021) Versatile gadolinium(III)-phthalocyaninate photoagent for MR/PA imaging-guided parallel photocavitation and photodynamic oxidation at single-laser irradiation. BIOMATERIALS, [PMID:34229148] [10.1016/j.biomaterials.2021.120993] |
