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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,5-DIMETHYL-1-(4-ETHOXYCARBONYLPHENYL)PYRROLE , CAS No.5159-70-6
Synonyms
CCG-247407 | ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate | 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid ethyl ester | 2,5-DIMETHYL-1-(4-ETHOXYCARBONYLPHENYL)PYRROLE | OSM-S-40 | 1-(4-ethoxycarbonylphenyl)-2,5-dimethylpyrrole | HMS2583F21 | SCHEMBL8597363 | F
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Why this grade 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 Synonyms
CCG-247407 | ethyl 4-(2, 5-dimethyl-1H-pyrrol-1-yl)benzoate | 4-(2, 5-dimethyl-1-pyrrolyl)benzoic acid ethyl ester | 2, 5-DIMETHYL-1-(4-ETHOXYCARBONYLPHENYL)PYRROLE | OSM-S-40 | 1-(4-ethoxycarbonylphenyl)-2, 5-dimethylpyrrole | HMS2583F21 | SCHEMBL8597363 | F
Names and Identifiers Canonical Smiles CCOC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C IUPAC Name ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate InChIKey FIQJDBIRRVQTJN-UHFFFAOYSA-N INCHI 1S/C15H17NO2/c1-4-18-15(17)13-7-9-14(10-8-13)16-11(2)5-6-12(16)3/h5-10H,4H2,1-3H3 Isomeric SMILES CCOC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C Molecular Weight 243.308 Reaxy-Rn 206019 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=206019&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 Class Pyrroles Subclass Substituted pyrroles Intermediate Tree Nodes Not available Direct Parent Phenylpyrroles Alternative Parents Benzoic acid esters Benzoyl derivatives 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 1-phenylpyrrole - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 243.300 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 243.126 Da Monoisotopic Mass 243.126 Da Topological Polar Surface Area 31.200 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 274.000 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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