4-Nitroanisole - ≥98% , CAS No.100-17-4

CAS: 100-17-4 Cat. No.: N105584 Molecular Weight: 153.14 Beilstein Registry Number: 1865361 EC Number: 202-825-3
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GRADE & PURITY ≥98%
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
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25g
N105584-25g
2
$23.90
100g
N105584-100g
4
$60.90
500g
N105584-500g
1
$221.90
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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 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 36 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
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid488180457
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180457
Canonical SmilesCOC1=CC=C(C=C1)[N+](=O)[O-]
IUPAC Name1-methoxy-4-nitrobenzene
InChIKeyBNUHAJGCKIQFGE-UHFFFAOYSA-N
INCHI1S/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-]
WGK Germany 1
RTECS BZ8800000
UN Number 2730(liquid)3458(solid)
Packing Group III
Molecular Weight 153.14
Beilstein 1865361
Reaxy-Rn 1865361
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.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrophenyl 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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALB Tchem Serum albumin (2651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

16 results found

Lot NumberCertificate TypeDateItem
I2202657Certificate of AnalysisJun 11, 2026 N105584
B2626041Certificate of AnalysisMar 05, 2026 N105584
B2225813Certificate of AnalysisDec 12, 2025 N105584
E2114300Certificate of AnalysisFeb 07, 2025 N105584
J2026150Certificate of AnalysisAug 16, 2024 N105584
J2227515Certificate of AnalysisSep 16, 2022 N105584
J2227551Certificate of AnalysisSep 16, 2022 N105584
J2227579Certificate of AnalysisSep 16, 2022 N105584
I2202658Certificate of AnalysisAug 12, 2022 N105584
I2202659Certificate of AnalysisAug 12, 2022 N105584
J2515025Certificate of AnalysisAug 12, 2022 N105584
B2225685Certificate of AnalysisFeb 11, 2022 N105584
B2225814Certificate of AnalysisDec 01, 2021 N105584
B2314148Certificate of AnalysisDec 01, 2021 N105584
B2225894Certificate of AnalysisDec 01, 2021 N105584
B2314147Certificate of AnalysisDec 01, 2021 N105584

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Chemical and Physical Properties
SolubilityInsoluble 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 Weight153.140 g/mol
XLogP32.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass153.043 Da
Monoisotopic Mass153.043 Da
Topological Polar Surface Area55.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity135.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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