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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino 2-Benzoylpyrrole - ≥98%(GC) , CAS No.7697-46-3
Synonyms
J-508101 | Phenyl-1H-pyrrol-2-ylmethanone | BRN 0120606 | MFCD00094048 | MB00640 | Phenyl pyrrol-2-yl ketone | 5-21-08-00461 (Beilstein Handbook Reference) | phenyl-(1H-pyrrol-2-yl)-methanone | phenyl(1H-pyrrol-2-yl)methanone | DTXSID80227753 | FT-0659240
Storage
Room temperature,Argon charged
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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 Sinonimi
J-508101 | Phenyl-1H-pyrrol-2-ylmethanone | BRN 0120606 | MFCD00094048 | MB00640 | Phenyl pyrrol-2-yl ketone | 5-21-08-00461 (Beilstein Handbook Reference) | phenyl-(1H-pyrrol-2-yl)-methanone | phenyl(1H-pyrrol-2-yl)methanone | DTXSID80227753 | FT-0659240
Specifiche e purezza
≥98%(GC)
Condizioni di conservazione di stoccaggio
Room temperature,Argon charged
Nomi e identificatori Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182880
Sorrisi canonici
C1=CC=C(C=C1)C(=O)C2=CC=CN2
IUPAC Name
phenyl(1H-pyrrol-2-yl)methanone
InChIKey
NFGGQMYSOLVBLF-UHFFFAOYSA-N
INCHI
1S/C11H9NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-8,12H
Isomeri SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CN2
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120606&ln=
Documentazione 📋 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 Organic oxygen compounds Classe Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Aryl-phenylketones Alternative Parents Benzoyl derivatives Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl-phenylketone - Benzoyl - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound Descrizione This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Sensibilità Air sensitive Punto di ebollizione (°C) 305°C Punto di fusione (°C) 77 °C Peso molecolare 171.190 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 171.068 Da Monoisotopic Mass 171.068 Da Topological Polar Surface Area 32.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 185.000 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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