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· · COA & SDS available for every product · Same-day shipping on in-stock items (2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone - ≥98% , CAS No.141627-42-1
Synonyms
WYALRXZJYXWYGR-UHFFFAOYSA-N | SCHEMBL422204 | DS-17943 | DTXSID90626718 | Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)- | 2-n-butyl-3-(4-methoxy-benzoyl)-5-nitro-benzofuran | 2-n-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran | MFCD14525623
Storage
Store at 2-8°C,Desiccated
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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,Desiccated 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 Synonyms
WYALRXZJYXWYGR-UHFFFAOYSA-N | SCHEMBL422204 | DS-17943 | DTXSID90626718 | Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)- | 2-n-butyl-3-(4-methoxy-benzoyl)-5-nitro-benzofuran | 2-n-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran | MFCD14525623
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OC IUPAC Name (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone InChIKey WYALRXZJYXWYGR-UHFFFAOYSA-N INCHI 1S/C20H19NO5/c1-3-4-5-18-19(20(22)13-6-9-15(25-2)10-7-13)16-12-14(21(23)24)8-11-17(16)26-18/h6-12H,3-5H2,1-2H3 Isomeric SMILES CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OC Molecular Weight 353.37 Reaxy-Rn 12313736 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12313736&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Aryl-phenylketones Alternative Parents Benzofurans 3-aroylfurans Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Aryl-phenylketone - Benzofuran - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - 3-aroylfuran - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound Description 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 353.400 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 353.126 Da Monoisotopic Mass 353.126 Da Topological Polar Surface Area 85.300 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 497.000 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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