≥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 | 488187996 |
|---|---|
| Canonical Smiles | CCCCOC1=CC=C(C=C1)C#N |
| IUPAC Name | 4-butoxybenzonitrile |
| InChIKey | RRGQINKVTNAIBB-UHFFFAOYSA-N |
| INCHI | 1S/C11H13NO/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7H,2-3,8H2,1H3 |
| Isomeric SMILES | CCCCOC1=CC=C(C=C1)C#N |
| Molecular Weight | 175.2 |
| Reaxy-Rn | 2834664 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2834664&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 | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Monocyclic benzene moiety - 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 phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| 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 |
|---|---|---|---|
 D2326733 | Certificate of Analysis | May 11, 2023 | B184944 |
| D2326736 | Certificate of Analysis | May 11, 2023 | B184944 |
| D2326740 | Certificate of Analysis | May 11, 2023 | B184944 |
| D2326750 | Certificate of Analysis | May 11, 2023 | B184944 |
| D2326722 | Certificate of Analysis | May 10, 2023 | B184944 |
| D2326724 | Certificate of Analysis | May 10, 2023 | B184944 |
| D2326729 | Certificate of Analysis | May 10, 2023 | B184944 |
| D2326743 | Certificate of Analysis | May 10, 2023 | B184944 |
| Flash Point(°C) | >110°C |
|---|---|
| Boil Point(°C) | 242-244°C |
| Molecular Weight | 175.230 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 175.1 Da |
| Monoisotopic Mass | 175.1 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
