3-Methyl-4-nitropyridine N-oxide - ≥98% , CAS No.1074-98-2

CAS: 1074-98-2 Cat. No.: M103039 Molecular Weight: 154.12 EC Number: 214-050-8
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
DTXSID7025003 | Benzoic acid, 3,4-dihydroxy- | 2-P-D-glycerate | 2314-09-24-NITRO-.BETA.-PICOLINE N-OXIDE | InChI=1/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H | DTXSID10148043 | 2-Ketoadipic acid | SY005674 | 4-Nitro-3-picoline 1-oxide | 3-methyl-4-nitr
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
M103039-1g
10

$9.90

$14.90
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5g
M103039-5g
9

$13.90

$20.90
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25g
M103039-25g
8

$51.90

$77.90
Save $26.00 (33.38%)
100g
M103039-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$175.90

$263.90
Save $88.00 (33.35%)
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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.

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Literature proof

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

Specifications

Synonyms
DTXSID7025003 | Benzoic acid, 3, 4-dihydroxy- | 2-P-D-glycerate | 2314-09-24-NITRO-.BETA.-PICOLINE N-OXIDE | InChI=1/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H, 1H | DTXSID10148043 | 2-Ketoadipic acid | SY005674 | 4-Nitro-3-picoline 1-oxide | 3-methyl-4-nitr
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488184562
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488184562
Canonical SmilesCC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]
IUPAC Name3-methyl-4-nitro-1-oxidopyridin-1-ium
InChIKeySSOURMYKACOBIV-UHFFFAOYSA-N
INCHI1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3
Isomeric SMILES CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]
WGK Germany 3
RTECS UT5775000
UN Number 2811
Molecular Weight 154.12
Reaxy-Rn 140157
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=140157&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
SuperclassOrganic 1,3-dipolar compounds
ClassAllyl-type 1,3-dipolar organic compounds
SubclassOrganic nitro compounds
Intermediate Tree Nodes C-nitro compounds
Direct ParentNitroaromatic compounds
Alternative Parents Methylpyridines  Pyridinium derivatives  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Nitroaromatic compound - Methylpyridine - Pyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Giardia (1682 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.

9 results found

Lot NumberCertificate TypeDateItem
C1815162Certificate of AnalysisOct 21, 2025 M103039
C1815161Certificate of AnalysisOct 21, 2025 M103039
H2025057Certificate of AnalysisJun 15, 2024 M103039
H2025059Certificate of AnalysisJun 15, 2024 M103039
G2405300Certificate of AnalysisApr 25, 2024 M103039
G2405301Certificate of AnalysisApr 25, 2024 M103039
D2318437Certificate of AnalysisApr 26, 2023 M103039
D2318416Certificate of AnalysisApr 26, 2023 M103039
D2318418Certificate of AnalysisApr 26, 2023 M103039
Chemical and Physical Properties
Melt Point(°C)136-138°C
Molecular Weight154.120 g/mol
XLogP30.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass154.038 Da
Monoisotopic Mass154.038 Da
Topological Polar Surface Area71.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity156.000
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
Solution Calculators
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Customer Reviews

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