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.
Description
(R)-(+)-3-Chlorostyrene oxide may be used as an intermediate for the synthesis of 4-aminopiperidine based human β3-adrenergic receptor (AR) agonists.Reactant involved in:Diastereoselective Wadsworth-Emmons cyclopropanation for synthesis of quaternaty cyclopropyl estersSynthesis of phenylethanolamine derivatives as β3-adrenergic receptor agonistsStereoselective ring-opening for synthesis of β-aryloxy-substituted alcohols and aminesSynthesis of Biphenyl benzoic acid derivatives as β3-adrenergic receptor agonistsSynthesis of (S)-2-, 3-, and 4-chlorostyrene oxides with epoxide hydrolase
| Canonical Smiles | C1C(O1)C2=CC(=CC=C2)Cl |
|---|---|
| IUPAC Name | (2R)-2-(3-chlorophenyl)oxirane |
| InChIKey | YVMKRPGFBQGEBF-QMMMGPOBSA-N |
| INCHI | 1S/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1 |
| Isomeric SMILES | C1[C@H](O1)C2=CC(=CC=C2)Cl |
| WGK Germany | 3 |
| PubChem CID | 10898919 |
| Molecular Weight | 154.59 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Aryl chlorides Oxacyclic compounds Epoxides Dialkyl ethers Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - Aryl halide - Aryl chloride - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
| Flash Point(°F) | 206.6 °F |
|---|---|
| Flash Point(°C) | 97 °C |
| Molecular Weight | 154.590 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.019 Da |
| Monoisotopic Mass | 154.019 Da |
| Topological Polar Surface Area | 12.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
