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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino 2-Ciano-4-metossibenzaldeide - ≥98% , CAS No.21962-47-0
Synonyms
Benzonitrile,2-formyl-5-methoxy- | SCHEMBL7433184 | CL8274 | 2-cyano-4-methoxybenzaldeyde | FT-0600725 | DTXSID70676372 | KEDMRUNNPUDXOQ-UHFFFAOYSA-N | MFCD08275456 | AM84037 | AKOS006230141 | A4706 | J-509194 | 2-formyl-5-methoxybenzonitrile | GS-4428 |
Storage
Temperatura ambiente
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Temperatura ambiente Ships Normale 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinonimi
Benzonitrile,2-formyl-5-methoxy- | SCHEMBL7433184 | CL8274 | 2-cyano-4-methoxybenzaldeyde | FT-0600725 | DTXSID70676372 | KEDMRUNNPUDXOQ-UHFFFAOYSA-N | MFCD08275456 | AM84037 | AKOS006230141 | A4706 | J-509194 | 2-formyl-5-methoxybenzonitrile | GS-4428 |
Condizioni di conservazione di stoccaggio
Temperatura ambiente
Nomi e identificatori Sorrisi canonici
COC1=CC(=C(C=C1)C=O)C#N
IUPAC Name
2-formyl-5-methoxybenzonitrile
InChIKey
KEDMRUNNPUDXOQ-UHFFFAOYSA-N
INCHI
1S/C9H7NO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,1H3
Isomeri SMILES
COC1=CC(=C(C=C1)C=O)C#N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20556367&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 Benzenoids Classe Benzene and substituted derivatives Subclass Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent Benzoyl derivatives Alternative Parents Phenoxy compounds Methoxybenzenes Benzonitriles Benzaldehydes Anisoles Alkyl aryl ethers Nitriles Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenoxy compound - Anisole - Benzaldehyde - Benzonitrile - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Ether - Carbonitrile - Nitrile - Aldehyde - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound Descrizione This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 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 Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 161.160 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 161.048 Da Monoisotopic Mass 161.048 Da Topological Polar Surface Area 50.100 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 206.000 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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