≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488187383 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187383 |
| Canonical Smiles | CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| IUPAC Name | 4-(4-undecylphenyl)benzonitrile |
| InChIKey | YIJBPYUXIFSTAP-UHFFFAOYSA-N |
| INCHI | 1S/C24H31N/c1-2-3-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)24-18-14-22(20-25)15-19-24/h12-19H,2-11H2,1H3 |
| Isomeric SMILES | CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Molecular Weight | 333.52 |
| Reaxy-Rn | 2384433 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2384433&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenylcarbonitriles |
| Alternative Parents | Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenylcarbonitrile - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group. |
| 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 |
|---|---|---|---|
 H2303545 | Certificate of Analysis | Jul 15, 2023 | C153932 |
| H2303565 | Certificate of Analysis | Jul 15, 2023 | C153932 |
| H2303574 | Certificate of Analysis | Jul 15, 2023 | C153932 |
| H2303580 | Certificate of Analysis | Jul 15, 2023 | C153932 |
| Solubility | Soluble in Acetone |
|---|---|
| Melt Point(°C) | 53°C(lit.) |
| Molecular Weight | 333.500 g/mol |
| XLogP3 | 8.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 11 |
| Exact Mass | 333.246 Da |
| Monoisotopic Mass | 333.246 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
