≥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.
| Sonrisas canónicas | C1=CC(=C(C(=C1)Cl)N=C=S)Cl |
|---|---|
| IUPAC Name | 1,3-dichloro-2-isothiocyanatobenzene |
| InChIKey | SUCGVQHNGIQXGD-UHFFFAOYSA-N |
| INCHI | 1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H |
| Isómeros SMILES | C1=CC(=C(C(=C1)Cl)N=C=S)Cl |
| WGK Alemania | 3 |
| Peso molecular | 204.08 |
| Reaxy-Rn | 639061 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639061&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Aryl chlorides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 B2520528 | Certificate of Analysis | Feb 27, 2025 | B301355 |
| B2520529 | Certificate of Analysis | Feb 27, 2025 | B301355 |
| B2520530 | Certificate of Analysis | Feb 27, 2025 | B301355 |
| B2520531 | Certificate of Analysis | Feb 27, 2025 | B301355 |
| B2520532 | Certificate of Analysis | Feb 27, 2025 | B301355 |
| B2520533 | Certificate of Analysis | Feb 27, 2025 | B301355 |
| H2131195 | Certificate of Analysis | Jun 07, 2023 | B301355 |
| H2131141 | Certificate of Analysis | Jun 07, 2023 | B301355 |
| Punto de ebullición (°C) | 122-124°/8mm |
|---|---|
| Punto de fusión (°C) | 42-44 °C |
| Peso molecular | 204.080 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 202.936 Da |
| Monoisotopic Mass | 202.936 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
