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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid - ≥95% , CAS No.83-10-3
Synonyms
2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one-4-carboxylic acid | SCHEMBL197736 | F50515 | 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid # | 1H-Pyrazole-4-carboxylic acid,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl- | 1,5-Dimethyl-3-oxo-2-phen
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
2, 3-Dimethyl-1-phenyl-3-pyrazolin-5-one-4-carboxylic acid | SCHEMBL197736 | F50515 | 1, 5-Dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazole-4-carboxylic acid # | 1H-Pyrazole-4-carboxylic acid, 3-dihydro-1, 5-dimethyl-3-oxo-2-phenyl- | 1, 5-Dimethyl-3-oxo-2-phen
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)O IUPAC Name 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid InChIKey DHFYEFAILLBNHD-UHFFFAOYSA-N INCHI 1S/C12H12N2O3/c1-8-10(12(16)17)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,16,17) Isómeros SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)O Peso molecular 232.23 Reaxy-Rn 233065 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=233065&ln=
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazole carboxylic acids and derivatives Pyrazolones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Pyrazole-4-carboxylic acid or derivatives - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 232.230 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 232.085 Da Monoisotopic Mass 232.085 Da Topological Polar Surface Area 60.900 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 383.000 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
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