≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | 504765979 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765979 |
| Canonical Smiles | C1=CC(=CC=C1CCCO)C#N |
| IUPAC Name | 4-(3-hydroxypropyl)benzonitrile |
| InChIKey | DLSYBKFKTWXZMU-UHFFFAOYSA-N |
| INCHI | 1S/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-6,12H,1-2,7H2 |
| Isomeric SMILES | C1=CC(=CC=C1CCCO)C#N |
| Molecular Weight | 161.2 |
| Reaxy-Rn | 5507180 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5507180&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Nitriles Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 C2618122 | Certificate of Analysis | Mar 31, 2026 | H195210 |
| C2212216 | Certificate of Analysis | Dec 05, 2024 | H195210 |
| C2212277 | Certificate of Analysis | Dec 05, 2024 | H195210 |
| C2212306 | Certificate of Analysis | Dec 05, 2024 | H195210 |
| C2212307 | Certificate of Analysis | Dec 05, 2024 | H195210 |
| C2212311 | Certificate of Analysis | Dec 05, 2024 | H195210 |
| G2425451 | Certificate of Analysis | Apr 01, 2024 | H195210 |
| G2425452 | Certificate of Analysis | Apr 01, 2024 | H195210 |
| Molecular Weight | 161.200 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 161.084 Da |
| Monoisotopic Mass | 161.084 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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 |
