≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)F)F |
|---|---|
| IUPAC Name | (3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate |
| InChIKey | SJQNBUFTRYMKET-UHFFFAOYSA-N |
| INCHI | 1S/C22H30F2O2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-19-12-13-20(23)21(24)14-19/h12-18H,2-11H2,1H3 |
| Isomeric SMILES | CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)F)F |
| PubChem CID | 19695450 |
| Molecular Weight | 364.48 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Phenoxy compounds Fluorobenzenes Aryl fluorides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - Phenoxy compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | Not available |
| Molecular Weight | 364.500 g/mol |
|---|---|
| XLogP3 | 7.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 364.221 Da |
| Monoisotopic Mass | 364.221 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 439.000 |
| 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 |
![(trans,trans)-3,4-Difluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate - ≥97% , CAS No.94840-77-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)