≥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 | 504756567 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756567 |
| Canonical Smiles | CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| IUPAC Name | 4-(4-butoxyphenyl)benzonitrile |
| InChIKey | KPQVQWUNELODQE-UHFFFAOYSA-N |
| INCHI | 1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3 |
| Isomeric SMILES | CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| RTECS | DV1764000 |
| Molecular Weight | 251.33 |
| Reaxy-Rn | 2731691 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2731691&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 | Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenylcarbonitrile - Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - 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 |
|---|---|---|---|
 F2314614 | Certificate of Analysis | May 24, 2023 | B151974 |
| F2314616 | Certificate of Analysis | May 24, 2023 | B151974 |
| F2314667 | Certificate of Analysis | May 24, 2023 | B151974 |
| F2314673 | Certificate of Analysis | May 24, 2023 | B151974 |
| F2314675 | Certificate of Analysis | May 24, 2023 | B151974 |
| F2314676 | Certificate of Analysis | May 24, 2023 | B151974 |
| Solubility | Soluble in Toluene |
|---|---|
| Melt Point(°C) | 77 °C |
| Molecular Weight | 251.320 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 251.131 Da |
| Monoisotopic Mass | 251.131 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| 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 |
