4-Nitronicotinic acid N-oxide - ≥97% , CAS No.1078-05-3

CAS: 1078-05-3 Cat. No.: N128100 Formula: C6H4N2O5 Peso molecolare: 184.11 Beilstein Registry Number: 176825 Numero EC: 681-238-8
Disponibile su ordine
GRADE & PURITY ≥97%
Synonyms
3-CARBOXY-4-NITROPYRIDIN-1-IUM-1-OLATE | BS-23272 | DTXSID00287511 | SCHEMBL8549795 | AI-942/25121065 | MFCD03426925 | 4-nitropyridine-3-carboxylic acid 1-oxide | EC-000.1623 | 4-Nitropyridine-3-carboxylic acid N-oxide | 4-nitro-3-pyridinecarboxylic acid-
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
1g
N128100-1g
Su ordinazione · 8–12 settimane
61,52€
5g
N128100-5g
Su ordinazione · 8–12 settimane
274,12€
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% 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

Sinonimi
3-CARBOXY-4-NITROPYRIDIN-1-IUM-1-OLATE | BS-23272 | DTXSID00287511 | SCHEMBL8549795 | AI-942/25121065 | MFCD03426925 | 4-nitropyridine-3-carboxylic acid 1-oxide | EC-000.1623 | 4-Nitropyridine-3-carboxylic acid N-oxide | 4-nitro-3-pyridinecarboxylic acid-
Specifiche e purezza
≥97%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥97%
Nomi e identificatori
Sorrisi canonici
C1=C[N+](=CC(=C1[N+](=O)[O-])C(=O)O)[O-]
IUPAC Name
4-nitro-1-oxidopyridin-1-ium-3-carboxylic acid
InChIKey
OYLXIYDCLHUDQV-UHFFFAOYSA-N
INCHI
1S/C6H4N2O5/c9-6(10)4-3-7(11)2-1-5(4)8(12)13/h1-3H,(H,9,10)
Isomeri SMILES
C1=C[N+](=CC(=C1[N+](=O)[O-])C(=O)O)[O-]
Peso molecolare
184.11
Beilstein
176825
Reaxy-Rn
176825
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=176825&ln=

Documentazione

📋 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
SuperclassOrganoheterocyclic compounds
ClassePyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids
Alternative Parents Nitroaromatic compounds  Pyridinium derivatives  Vinylogous amides  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridine carboxylic acid - Nitroaromatic compound - Pyridinium - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare184.110 g/mol
XLogP3-0.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass184.012 Da
Monoisotopic Mass184.012 Da
Topological Polar Surface Area109.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity226.000
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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

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