≥98% 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.
Description
2-Ethylbenzonitrile is present as one of the constituents in the bioactive neutral sub-fraction of cigarette smoke condensate. It can be obtained from 2-ethylaniline, via Sandmeyer reaction. Density and the refractive index of 2-ethylbenzonitrile at 25°C are 0.9560g/cm3and 1.5270, respectively.2-Ethylbenzonitrile may be used to synthesize 2-ethylhexahydrobenzylamine and 2-ethylstyrene.
| Pubchem Sid | 488187738 |
|---|---|
| Sorrisi canonici | CCC1=CC=CC=C1C#N |
| IUPAC Name | 2-ethylbenzonitrile |
| InChIKey | UZDXATQPJOOHQJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3 |
| Isomeri SMILES | CCC1=CC=CC=C1C#N |
| Peso molecolare | 131.18 |
| Reaxy-Rn | 1237716 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237716&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descrizione | 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 | Data | Oggetto |
|---|---|---|---|
 G2310075 | Certificate of Analysis | Jun 15, 2023 | E472414 |
| G2310077 | Certificate of Analysis | Jun 15, 2023 | E472414 |
| G2310078 | Certificate of Analysis | Jun 15, 2023 | E472414 |
| G2310079 | Certificate of Analysis | Jun 15, 2023 | E472414 |
| G2310080 | Certificate of Analysis | Jun 15, 2023 | E472414 |
| G2310081 | Certificate of Analysis | Jun 15, 2023 | E472414 |
| Indice di rifrazione | 1.523 (lit.) |
|---|---|
| Punto di ebollizione (°C) | 94-95/12mm |
| Peso molecolare | 131.170 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 131.073 Da |
| Monoisotopic Mass | 131.073 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| 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 |
