Determine the necessary mass, volume, or concentration for preparing a solution.
≥96% 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
Used in the synthesis of side chain liquid crystalline homopolymers and block copolymers with the cyanobiphenyl group as the mesogen.
| Sonrisas canónicas | CC(=C)C(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
|---|---|
| IUPAC Name | 6-[4-(4-cyanophenyl)phenoxy]hexyl 2-methylprop-2-enoate |
| InChIKey | JJJGWRPDCQICFP-UHFFFAOYSA-N |
| INCHI | 1S/C23H25NO3/c1-18(2)23(25)27-16-6-4-3-5-15-26-22-13-11-21(12-14-22)20-9-7-19(17-24)8-10-20/h7-14H,1,3-6,15-16H2,2H3 |
| Isómeros SMILES | CC(=C)C(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Número ONU | 2923 |
| Peso molecular | 363.45 |
| Reaxy-Rn | 7490296 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7490296&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 |
| Clase | 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 Enoate esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenylcarbonitrile - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Punto de inflamación (°F) | Not applicable |
|---|---|
| Punto de inflamación (°C) | Not applicable |
| Punto de fusión (°C) | 73-76℃ (lit.) |
| Peso molecular | 363.400 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 363.183 Da |
| Monoisotopic Mass | 363.183 Da |
| Topological Polar Surface Area | 59.300 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| 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 |