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ST001145 - ≥97% , CAS No.19364-68-2
Disponible para pedir
GRADE & PURITY ≥97%
Storage
Room temperature
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Why this grade
≥97% 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
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥97%
Nombres e identificadores
| Sonrisas canónicas | CCN1C(=O)CC(=N1)C |
|---|---|
| IUPAC Name | 2-ethyl-5-methyl-4H-pyrazol-3-one |
| InChIKey | BDKWKEPROQIWCA-UHFFFAOYSA-N |
| INCHI | 1S/C6H10N2O/c1-3-8-6(9)4-5(2)7-8/h3-4H2,1-2H3 |
| Peso molecular | 126.160 |
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 Azolines
- Subclass Pyrazolines
- Clase Azolines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolines |
| Subclass | Pyrazolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolones |
| Alternative Parents | N-alkylated hydrazones Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrazolinone - N-alkylated hydrazone - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. |
| 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 | 126.160 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 126.079 Da |
| Monoisotopic Mass | 126.079 Da |
| Topological Polar Surface Area | 32.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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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