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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate - ≥98% , CAS No.514816-42-3
Synonyms
STK315996 | DTXSID50350087 | SY082288 | AC-30767 | FT-0679636 | MFCD01459850 | EN300-232375 | A871272 | AMY12037 | BBL013090 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, methyl ester | A1-24367 | Methyl 4-bromo-2-methyl-2H-pyrazole-3-carboxylate |
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Why this grade ≥98% 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
STK315996 | DTXSID50350087 | SY082288 | AC-30767 | FT-0679636 | MFCD01459850 | EN300-232375 | A871272 | AMY12037 | BBL013090 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, methyl ester | A1-24367 | Methyl 4-bromo-2-methyl-2H-pyrazole-3-carboxylate |
Especificaciones y pureza
≥98%
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 CN1C(=C(C=N1)Br)C(=O)OC IUPAC Name methyl 4-bromo-2-methylpyrazole-3-carboxylate InChIKey XOGHZBXSBLBJHQ-UHFFFAOYSA-N INCHI 1S/C6H7BrN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3 Isómeros SMILES CN1C(=C(C=N1)Br)C(=O)OC Peso molecular 219.04 Reaxy-Rn 14453573 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14453573&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 Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - 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 Peso molecular 219.040 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 217.969 Da Monoisotopic Mass 217.969 Da Topological Polar Surface Area 44.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 165.000 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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