≥96% 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
6-Chlorohexanoyl chloride may be used in the following processes:Preparation oftert-butyl-N-(2-(6-chlorovaleryl)phenyl)carbamate, an intermediate for synthesizing the ketone analog of 2-amino-N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-butyl)benzamide hydrochloride.Preparation of (S)-(-)6-chlorohexanoic acid (2-methoxymethylpyrrolidin-1-yl)amide, a precursor for synthesizing 2-alkyl-substituted lactones.Deprotection and acylation of the pendant nitrogen during the preparation of a new cryptand with hydroxamate moiety that can bind with tribasic cations.
| Pubchem Sid | 504755916 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755916 |
| Canonical Smiles | C(CCC(=O)Cl)CCCl |
| IUPAC Name | 6-chlorohexanoyl chloride |
| InChIKey | WZILXAPNPKMOSA-UHFFFAOYSA-N |
| INCHI | 1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2 |
| Isomeric SMILES | C(CCC(=O)Cl)CCCl |
| WGK Germany | 3 |
| Molecular Weight | 169.05 |
| Reaxy-Rn | 1852393 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852393&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 | Organohalogen compounds |
| Class | Acyl halides |
| Subclass | Acyl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acyl chlorides |
| Alternative Parents | Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl. |
| External Descriptors | Not available |
| Sensitivity | moisture sensitive |
|---|---|
| Refractive Index | 1.464 |
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 90℃/7mm |
| Molecular Weight | 169.050 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 168.011 Da |
| Monoisotopic Mass | 168.011 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 83.100 |
| 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 |
F2308296