≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1=CC2=C(C(=C1)SCC(=O)O)C(=CC=C2)Cl |
|---|---|
| IUPAC Name | 2-(8-chloronaphthalen-1-yl)sulfanylacetic acid |
| InChIKey | WPNAGQJVWAFQJV-UHFFFAOYSA-N |
| INCHI | 1S/C12H9ClO2S/c13-9-5-1-3-8-4-2-6-10(12(8)9)16-7-11(14)15/h1-6H,7H2,(H,14,15) |
| Isomeric SMILES | C1=CC2=C(C(=C1)SCC(=O)O)C(=CC=C2)Cl |
| Molecular Weight | 252.71 |
| Beilstein | 6(4)4248 |
| Reaxy-Rn | 3294801 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3294801&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 | Naphthalenes |
| Subclass | Chloronaphthalenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chloronaphthalenes |
| Alternative Parents | Thiophenol ethers Alkylarylthioethers Aryl chlorides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Chloronaphthalene - Aryl thioether - Thiophenol ether - Alkylarylthioether - Aryl chloride - Aryl halide - Carboxylic acid derivative - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom. |
| External Descriptors | Not available |
| Solubility | Soluble in Dimethylformamide |
|---|---|
| Melt Point(°C) | 157 °C |
| Molecular Weight | 252.720 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.001 Da |
| Monoisotopic Mass | 252.001 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 |
