≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | ClC1=CC=C(CSSCCNCCCCCCCCCC)C=C1.Cl |
|---|---|
| InChIKey | JQHUAYXPNPTQRO-UHFFFAOYSA-N |
| Isomeric SMILES | CCCCCCCCCCNCCSSCC1=CC=C(C=C1)Cl.Cl |
| Molecular Weight | 410.51 |
| Reaxy-Rn | 6786797 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6786797&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Aryl chlorides Dialkyldisulfides Sulfenyl compounds Dialkylamines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Aryl chloride - Aryl halide - Dialkyldisulfide - Organic disulfide - Secondary aliphatic amine - Sulfenyl compound - Secondary amine - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic 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 |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 20.53, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 8.21, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 410.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 15 |
| Exact Mass | 409.143 Da |
| Monoisotopic Mass | 409.143 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 | 2 |
