≥98% 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.
| Pubchem Sid | 504757172 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757172 |
| Sourires canoniques | C1=C(C=C(C=C1Cl)Cl)N=C=S |
| IUPAC Name | 1,3-dichloro-5-isothiocyanatobenzene |
| InChIKey | JLEMKZDHFGCHLO-UHFFFAOYSA-N |
| INCHI | 1S/C7H3Cl2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H |
| Isomères SMILES | C1=C(C=C(C=C1Cl)Cl)N=C=S |
| WGK Allemagne | 3 |
| Poids moléculaire | 204.08 |
| Beilstein | 879282 |
| Reaxy-Rn | 879282 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879282&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 |
| Classe | 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 |
| Description | 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 | Date | Article |
|---|---|---|---|
 B2327578 | Certificate of Analysis | Feb 06, 2023 | D140571 |
| B2327636 | Certificate of Analysis | Feb 06, 2023 | D140571 |
| B2327638 | Certificate of Analysis | Feb 06, 2023 | D140571 |
| F2301034 | Certificate of Analysis | Feb 06, 2023 | D140571 |
| Sensibilité | Moisture Sensitive |
|---|---|
| Point d'éclair (°F) | >230°F |
| Point d'éclair (°C) | >110℃ |
| Point d'ébullition (°C) | 137-138℃/9mmHg |
| Point de fusion (°C) | 44-48℃ |
| Poids moléculaire | 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 |
