It is an isothiocyanate derivative. Its freezing point has been reported to be 530.15K.
| Pubchem Sid | 488194024 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194024 |
| Sonrisas canónicas | C1=CC(=C(C(=C1)Cl)Cl)N=C=S |
| IUPAC Name | 1,2-dichloro-3-isothiocyanatobenzene |
| InChIKey | RQZIODPVCCTBAQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H3Cl2NS/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H |
| Isómeros SMILES | C1=CC(=C(C(=C1)Cl)Cl)N=C=S |
| WGK Alemania | 3 |
| Peso molecular | 204.07 |
| Beilstein | 2091585 |
| Reaxy-Rn | 2091585 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091585&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 | 1,2-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 |
|---|---|---|---|
 B2610008 | Certificate of Analysis | Feb 02, 2023 | D140569 |
| C23101192 | Certificate of Analysis | Feb 02, 2023 | D140569 |
| C2311147 | Certificate of Analysis | Feb 02, 2023 | D140569 |
| C2311151 | Certificate of Analysis | Feb 02, 2023 | D140569 |
| C2311152 | Certificate of Analysis | Feb 02, 2023 | D140569 |
| Sensibilidad | Moisture & heat Sensitive |
|---|---|
| Índice de refracción | 1.674 |
| Punto de inflamación (°F) | >230°F |
| Punto de inflamación (°C) | >110℃ |
| Punto de ebullición (°C) | 258°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 | 179.000 |
| 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 |
