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2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile , CAS No.127118-60-9
Disponible para pedir
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
| Sonrisas canónicas | C1=CC=C(C(=C1)C2C(=C(SC(=C2C#N)N)N)C#N)Cl |
|---|---|
| IUPAC Name | 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile |
| InChIKey | GVCFZNJDHXYSRV-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)19-13(18)9(11)6-16/h1-4,11H,17-18H2 |
| Peso molecular | 288.760 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Clase Benzene and substituted derivatives
- Subclass Halobenzenes
- Clase Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Thiopyrans Aryl chlorides Ketene acetals Nitriles Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - Aryl chloride - Aryl halide - Thiopyran - Ketene acetal or derivatives - Organoheterocyclic compound - Carbonitrile - Nitrile - Organopnictogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 288.760 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 288.024 Da |
| Monoisotopic Mass | 288.024 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| 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 |
Calculadoras de soluciones
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