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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate - ≥97% , CAS No.5744-51-4
Synonyms
AC-28097 | SDCCGMLS-0066258.P001 | 1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, ethyl ester | 3-(N,N-DICYANOETHYL)AMINOACETANILIDE | ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate | 1,5-dimethyl-3-ethoxycarbonylpyrazole | E1002 | SCHEMBL1233517 | A8187 | A
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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
AC-28097 | SDCCGMLS-0066258.P001 | 1H-Pyrazole-3-carboxylic acid, 1, 5-dimethyl-, ethyl ester | 3-(N, N-DICYANOETHYL)AMINOACETANILIDE | ethyl 1, 5-dimethyl-1H-pyrazole-3-carboxylate | 1, 5-dimethyl-3-ethoxycarbonylpyrazole | E1002 | SCHEMBL1233517 | A8187 | A
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488188007 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188007 Sonrisas canónicas CCOC(=O)C1=NN(C(=C1)C)C IUPAC Name ethyl 1,5-dimethylpyrazole-3-carboxylate InChIKey OJPXVXXMBWKEAT-UHFFFAOYSA-N INCHI 1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3 Isómeros SMILES CCOC(=O)C1=NN(C(=C1)C)C WGK Alemania 3 Peso molecular 168.19 Reaxy-Rn 125412 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125412&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 Pyrazole carboxylic acids and derivatives Alternative Parents Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid 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 Sensibilidad Moisture Sensitive Punto de ebullición (°C) 119 °C/0.5 mmHg Punto de fusión (°C) 42-46°C Peso molecular 168.190 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 168.09 Da Monoisotopic Mass 168.09 Da Topological Polar Surface Area 44.100 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 172.000 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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