≥98%(GC) 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.
| Canonical Smiles | C1=CC=C(C=C1)CCCC#N |
|---|---|
| IUPAC Name | 4-phenylbutanenitrile |
| InChIKey | ICMVGKQFVMTRLB-UHFFFAOYSA-N |
| INCHI | 1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2 |
| Isomeric SMILES | C1=CC=C(C=C1)CCCC#N |
| WGK Germany | 3 |
| PubChem CID | 74897 |
| Molecular Weight | 145.21 |
| Beilstein | 9(1)211 |
| Reaxy-Rn | 2043002 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 H2512580 | Certificate of Analysis | Aug 01, 2025 | P160083 |
| H2512584 | Certificate of Analysis | Aug 01, 2025 | P160083 |
| E2415121 | Certificate of Analysis | Apr 16, 2024 | P160083 |
| E2415128 | Certificate of Analysis | Apr 16, 2024 | P160083 |
| Refractive Index | n20/D 1.5143 |
|---|---|
| Flash Point(°F) | 221°F |
| Flash Point(°C) | 105 °C |
| Boil Point(°C) | 130°C/9.8mmHg |
| Molecular Weight | 145.200 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 145.089 Da |
| Monoisotopic Mass | 145.089 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |
