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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 5-benzyloxy-4-methoxy-2-nitrobenzoate - ≥95% , CAS No.164161-49-3
Synonyms
SY011537 | DS-1046 | methyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate | DTXSID30627446 | MFCD17168894 | SHQBNKDRVJNGDX-UHFFFAOYSA-N | AKOS015839344 | Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester | Methyl 5-Benzyloxy-4-methoxy-2-nitrobenz
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Why this grade ≥95% 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
SY011537 | DS-1046 | methyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate | DTXSID30627446 | MFCD17168894 | SHQBNKDRVJNGDX-UHFFFAOYSA-N | AKOS015839344 | Benzoic acid, 4-methoxy-2-nitro-5-(phenylmethoxy)-, methyl ester | Methyl 5-Benzyloxy-4-methoxy-2-nitrobenz
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)OCC2=CC=CC=C2 IUPAC Name methyl 4-methoxy-2-nitro-5-phenylmethoxybenzoate InChIKey SHQBNKDRVJNGDX-UHFFFAOYSA-N INCHI 1S/C16H15NO6/c1-21-14-9-13(17(19)20)12(16(18)22-2)8-15(14)23-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 Isomeric SMILES COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)OCC2=CC=CC=C2 Molecular Weight 317.3 Reaxy-Rn 13429194 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13429194&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Nitrobenzoic acids and derivatives Alternative Parents P-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. 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 317.290 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 317.09 Da Monoisotopic Mass 317.09 Da Topological Polar Surface Area 90.600 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 404.000 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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