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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Nitroanisole - ≥98% , CAS No.100-17-4
Synonyms
AB01095048-03 | DTXSID9059208 | SCHEMBL14406394 | UNII-G989Z7WOLH | WLN: WNR DO1 | Benzene, 1-methoxy-4-nitro- | NITROANISOLE, P- | p-Nitroanisol | Anisole, p-nitro- | NCGC00340123-01 | 1-Methoxy-4-nitrobenzene | 1-methoxy-4-nitro-benzene | AI3-00189 | P-
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships FedEx DG Service 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 37 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview 4-Nitroanisole undergoes photochemical nucleophilic aromatic substitution by hydroxide ion to form 4-methoxyphenol and 4-nitrophenol.
Specifications Synonyms
AB01095048-03 | DTXSID9059208 | SCHEMBL14406394 | UNII-G989Z7WOLH | WLN: WNR DO1 | Benzene, 1-methoxy-4-nitro- | NITROANISOLE, P- | p-Nitroanisol | Anisole, p-nitro- | NCGC00340123-01 | 1-Methoxy-4-nitrobenzene | 1-methoxy-4-nitro-benzene | AI3-00189 | P-
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
4-Nitroanisole is O-demethylated to 4-nitrophenol by human liver microsomes
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180457
Canonical Smiles
COC1=CC=C(C=C1)[N+](=O)[O-]
IUPAC Name
1-methoxy-4-nitrobenzene
InChIKey
BNUHAJGCKIQFGE-UHFFFAOYSA-N
INCHI
1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
Isomeric SMILES
COC1=CC=C(C=C1)[N+](=O)[O-]
UN Number
2730(liquid)3458(solid)
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865361&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 Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrophenyl ethers Alternative Parents Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. External Descriptors 4-nitroanisoles 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 Solubility Insoluble in water, soluble in most organic solvents such as ethanol and ether. Flash Point(°F) 266 °F Flash Point(°C) 130℃ Boil Point(°C) 274°C Melt Point(°C) 54°C Molecular Weight 153.140 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 153.043 Da Monoisotopic Mass 153.043 Da Topological Polar Surface Area 55.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 135.000 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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