4-Methoxy-3-nitrobenzoic acid - ≥98% , CAS No.89-41-8

CAS: 89-41-8 Cat. No.: M139403 Fórmula: CH3OC6H3(NO2)CO2H Peso molecular: 197.14 Beilstein Registry Number: 10181 Número CE: 201-906-0
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
NSC 29085 | Z64622964 | 4-Methoxy-3-nitrobenzoic acid | 4-Methoxy-3-nitro-benzoic acid | 4Methoxy-3-nitrobenzoic acid | W-100374 | 3-Nitro-4-methoxybenzoic acid | 4-Methoxy-3-nitrobenzoicacid | 4-Methoxy-3-nitro benzoic acid | 4-Methoxy-3-nitrobenzoic aci
Storage
Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
5g
M139403-5g
—
2 Em stock

8,59€

12,93€
Gravar 4,34 € (33.56%)
25g
M139403-25g
—
7 Em stock

15,53€

23,34€
Gravar 7,81 € (33.46%)
100g
M139403-100g
—
3 Em stock

43,30€

64,99€
Gravar 21,69 € (33.38%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

4-Methoxy-3-nitrobenzoic acid has been studied as a potential antitumor agent as an aniline mustard analog. 4-Methoxy-3-nitrobenzoic acid is also used as a starting reagent for the synthesis of BIPHEP-1-OMe, a precatalyst for the reaction of butadiene to aldehydes.
A substituted nitrobenzoic acid reagent for proteomics and organic synthesis research.

Specifications

Sinónimos
NSC 29085 | Z64622964 | 4-Methoxy-3-nitrobenzoic acid | 4-Methoxy-3-nitro-benzoic acid | 4Methoxy-3-nitrobenzoic acid | W-100374 | 3-Nitro-4-methoxybenzoic acid | 4-Methoxy-3-nitrobenzoicacid | 4-Methoxy-3-nitro benzoic acid | 4-Methoxy-3-nitrobenzoic aci
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Pureza
≥98%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754082
Sorrisos canónicos
COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
IUPAC Name
4-methoxy-3-nitrobenzoic acid
InChIKey
ANXBDAFDZSXOPQ-UHFFFAOYSA-N
INCHI
1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
SMILES isoméricas
COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
WGK Alemanha
1
Peso molecular
197.14
Beilstein
10181
Reaxy-Rn
2115073
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115073&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNitrobenzoic acids and derivatives
Alternative Parents P-methoxybenzoic acids and derivatives  Nitrophenyl ethers  Benzoic acids  Methoxyanilines  Phenoxy compounds  Anisoles  Benzoyl derivatives  Nitroaromatic compounds  Methoxybenzenes  Alkyl aryl ethers  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Organonitrogen compounds  Hydrocarbon derivatives  Organic oxides  Organopnictogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzoate - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

5 results found

Lot NumberCertificate TypeDataItem
H1714066Certificate of AnalysisAug 13, 2026 M139403
J2226034Certificate of AnalysisMay 11, 2026 M139403
G23151003Certificate of AnalysisApr 07, 2025 M139403
G23151010Certificate of AnalysisApr 07, 2025 M139403
G23151012Certificate of AnalysisApr 07, 2025 M139403
Propriedades químicas e físicas
Ponto de fusão (°C)192 °C
Peso molecular197.140 g/mol
XLogP31.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass197.032 Da
Monoisotopic Mass197.032 Da
Topological Polar Surface Area92.400 Ų
Heavy Atom Count14
Formal Charge0
Complexity236.000
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
Calculadoras de soluções
Revisões

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