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4-Nitropyridine - 95%, high purity , CAS No.1122-61-8

COA

Grade & Purity:

≥95%

Cas Number: 1122-61-8
Molecular Weight: 124.1
PubChem CID: 70734

In stock

Item Number

N586401

Grouped product items
SKU	Size	Availability	Price
N586401-250mg	250mg	3	$23.90
N586401-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$78.90
N586401-5g	5g	1	$668.90

Basic Description

Synonyms	SY029168 \| FT-0692561 \| 4-Nitropyridine \| 4-nitro-pyridine \| SB52565 \| A925594 \| UNII-59D3DS58ZB \| AI3-25255 \| AKOS000267399 \| MFCD00054554 \| 59D3DS58ZB \| FEXIEMAAKBNTFK-UHFFFAOYSA-N \| NSC30350 \| NSC-30350 \| SCHEMBL545380 \| AS-35885 \| CS-0059175 \| DTXSID2
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-nitropyridine
INCHI	InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H
InChIKey	FEXIEMAAKBNTFK-UHFFFAOYSA-N
Smiles	C1=CN=CC=C1[N+](=O)[O-]
Isomeric SMILES	C1=CN=CC=C1[N+](=O)[O-]
Molecular Weight	124.1
Reaxy-Rn	111865
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111865&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2313550	Certificate of Analysis	Aug 31, 2023	N586401
I2313549	Certificate of Analysis	Aug 31, 2023	N586401
I2313548	Certificate of Analysis	Aug 31, 2023	N586401

Chemical and Physical Properties

Molecular Weight	124.100 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	124.027 Da
Monoisotopic Mass	124.027 Da
Topological Polar Surface Area	58.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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