3-Methoxy-4-nitrobenzoic acid - ≥98% , CAS No.5081-36-7

CAS: 5081-36-7 Cat. No.: M122449 Summenformel: C8H7NO5 Molekulargewicht: 197.15 Beilstein Registry Number: 10(3)263 EG-Nummer: 225-793-2
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GRADE & PURITY ≥98%
Synonyms
A20390 | EN300-62791 | 4-Nitro-m-anisic Acid | NSC62703 | FT-0601398 | Z118458740 | 3-(methyloxy)-4-nitrobenzoic acid | 4-AMino-3-Methoxybenzoic acid (Methyl, ethyl) | Benzoic acid, 3-methoxy-4-nitro- | W-105929 | SCHEMBL223878 | EINECS 225-793-2 | AM2005
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
5g
M122449-5g
—
9 Auf Lager

8,59€

12,93€
Speichern 4,34 € (33.56%)
25g
M122449-25g
—
9 Auf Lager

16,40€

25,08€
Speichern 8,68 € (34.60%)
100g
M122449-100g
—
3 Auf Lager

41,56€

62,39€
Speichern 20,83 € (33.38%)
Enter a quantity for the sizes you want to add.
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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.

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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.

Specifications

Synonyme
A20390 | EN300-62791 | 4-Nitro-m-anisic Acid | NSC62703 | FT-0601398 | Z118458740 | 3-(methyloxy)-4-nitrobenzoic acid | 4-AMino-3-Methoxybenzoic acid (Methyl, ethyl) | Benzoic acid, 3-methoxy-4-nitro- | W-105929 | SCHEMBL223878 | EINECS 225-793-2 | AM2005
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185620
Kanonisches Lächeln
COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
IUPAC Name
3-methoxy-4-nitrobenzoic acid
InChIKey
PWURRRRGLCVBMX-UHFFFAOYSA-N
INCHI
1S/C8H7NO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)
Isomere SMILES
COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
WGK Deutschland
3
Molekulargewicht
197.15
Beilstein
10(3)263
Reaxy-Rn
2696042
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696042&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
KlasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNitrobenzoic acids and derivatives
Alternative Parents M-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 - M-methoxybenzoic acid or derivatives - Benzoic acid - Methoxyaniline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

9 results found

Lot NumberCertificate TypeDatumArtikel
K2214722Certificate of AnalysisAug 04, 2026 M122449
K2214744Certificate of AnalysisAug 04, 2026 M122449
D1428060Certificate of AnalysisNov 10, 2025 M122449
D2412278Certificate of AnalysisMar 26, 2024 M122449
D2412284Certificate of AnalysisMar 26, 2024 M122449
A2419501Certificate of AnalysisNov 24, 2023 M122449
D2319563Certificate of AnalysisAug 03, 2022 M122449
D2319567Certificate of AnalysisAug 03, 2022 M122449
H1425045Certificate of AnalysisJun 17, 2022 M122449
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)233-235°C
Molekulargewicht197.140 g/mol
XLogP31.800
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
Lösungsrechner
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