≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
| Pubchem Sid | 488184517 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184517 |
| Canonical Smiles | C1=CC(=CC=C1OC(=S)Cl)Cl |
| IUPAC Name | O-(4-chlorophenyl) chloromethanethioate |
| InChIKey | BQIABQCJXBELMT-UHFFFAOYSA-N |
| INCHI | 1S/C7H4Cl2OS/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H |
| Isomeric SMILES | C1=CC(=CC=C1OC(=S)Cl)Cl |
| UN Number | 3265 |
| Packing Group | III |
| Molecular Weight | 207.07 |
| Reaxy-Rn | 1565729 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1565729&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 | Phenoxy compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxy compounds |
| Alternative Parents | Chlorobenzenes Aryl chlorides Organosulfur compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group. |
| External Descriptors | Not available |
| Sensitivity | Moisture Sensitive |
|---|---|
| Refractive Index | 1.59 |
| Flash Point(°F) | >212℉ |
| Flash Point(°C) | >100℃ |
| Boil Point(°C) | 131 °C/18 mmHg |
| Molecular Weight | 207.080 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 205.936 Da |
| Monoisotopic Mass | 205.936 Da |
| Topological Polar Surface Area | 41.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 143.000 |
| 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 |
K2229537