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2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxobutanenitrile - ≥95% , CAS No.301344-08-1
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% 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
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | C/C(=C(\C#N)/C1=NC2=CC=CC=C2N1)/O |
|---|---|
| IUPAC Name | (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxybut-2-enenitrile |
| InChIKey | SZBFQHSARXPZMF-FPLPWBNLSA-N |
| INCHI | 1S/C11H9N3O/c1-7(15)8(6-12)11-13-9-4-2-3-5-10(9)14-11/h2-5,15H,1H3,(H,13,14)/b8-7- |
| Peso molecular | 199.210 |
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 Organoheterocyclic compounds
- Clase Benzimidazoles
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Benzenoids Imidazoles Heteroaromatic compounds Nitriles Enols Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Enol - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| 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 | 199.210 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 199.075 Da |
| Monoisotopic Mass | 199.075 Da |
| Topological Polar Surface Area | 72.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 328.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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