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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl isoquinoline-3-carboxylate - ≥98% , CAS No.27104-73-0
Synonyms
methyl isoquinoline-3-carboxylate | methyl isoquinoline-3-carbo-xylate | SCHEMBL214090 | BCP05782 | HMS547A09 | PD185896 | EQT2546QNR | SDCCGMLS-0065873.P001 | UNII-EQT2546QNR | CHEBI:183729 | A5289 | 3-Isoquinolinecarboxylic acid, methyl ester | CCG-5079
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Why this grade ≥98% 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.
Descripción general Methyl 3-isoquinolinecarboxylate was used in the preparation of 3-acetylisoquinoline.
Specifications Sinónimos
methyl isoquinoline-3-carboxylate | methyl isoquinoline-3-carbo-xylate | SCHEMBL214090 | BCP05782 | HMS547A09 | PD185896 | EQT2546QNR | SDCCGMLS-0065873.P001 | UNII-EQT2546QNR | CHEBI:183729 | A5289 | 3-Isoquinolinecarboxylic acid, methyl ester | CCG-5079
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504759998 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759998 Sonrisas canónicas COC(=O)C1=CC2=CC=CC=C2C=N1 IUPAC Name methyl isoquinoline-3-carboxylate InChIKey ZBCGBIZQNMVMPC-UHFFFAOYSA-N INCHI 1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3 Isómeros SMILES COC(=O)C1=CC2=CC=CC=C2C=N1 WGK Alemania 3 Peso molecular 187.2 Beilstein 473630 Reaxy-Rn 473630 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473630&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 Isoquinolines and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Isoquinolines and derivatives Alternative Parents Pyridinecarboxylic acids Benzenoids Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. 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 Punto de fusión (°C) 86-88°C Peso molecular 187.190 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 187.063 Da Monoisotopic Mass 187.063 Da Topological Polar Surface Area 39.200 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 217.000 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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