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4-Chloro-3-nitro-2(1H)-pyridinone - 95%, high purity , CAS No.165547-79-5

COA

Grade & Purity:

≥95%

Cas Number: 165547-79-5
Molecular Weight: 174.54
EC Number: 681-337-6
PubChem CID: 519282
PubChem SID: 504759023

In stock

Item Number

C587570

Grouped product items
SKU	Size	Availability	Price
C587570-1g	1g	3	$29.90
C587570-5g	5g	3	$43.90
C587570-10g	10g	2	$79.90
C587570-25g	25g	1	$160.90
C587570-100g	100g	1	$550.90

Basic Description

Synonyms	AS-42808 \| J-514946 \| 4-CHLORO-3-NITRO-2-PYRIDONE \| 4-chloro-3-nitro-pyridin-2-ol \| 4-chloro-3-nitropyridin-2-ol \| FT-0618076 \| 4-Chloro-3-nitro-1,2-dihydropyridin-2-one; 4-Chloro-3-nitro-2-hydroxypyridine; 4-Chloro-3-nitro-2-pyridone; 4-Chloro-3-nitropyr
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.
Product Description	Application： 4-Chloro-3-nitro-2-pyridone finds an important application as raw material in organic synthesis and pharmaceuticals. It is also used as an intermediate in agrochemicals and dyestuffs.

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	Pyridinones Dihydropyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Pyridine - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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

Names and Identifiers

Pubchem Sid	504759023
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759023
IUPAC Name	4-chloro-3-nitro-1H-pyridin-2-one
INCHI	InChI=1S/C5H3ClN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9)
InChIKey	UKIZCTHOMJXNIX-UHFFFAOYSA-N
Smiles	C1=CNC(=O)C(=C1Cl)[N+](=O)[O-]
Isomeric SMILES	C1=CNC(=O)C(=C1Cl)[N+](=O)[O-]
Alternate CAS	165547-79-5
Molecular Weight	174.54
Reaxy-Rn	1452777
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1452777&ln=

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

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9 results found

Lot Number	Certificate Type	Date	Item
K2306523	Certificate of Analysis	Oct 16, 2023	C587570
K2306504	Certificate of Analysis	Oct 16, 2023	C587570
K2306515	Certificate of Analysis	Oct 16, 2023	C587570
K2306541	Certificate of Analysis	Oct 16, 2023	C587570
K2306516	Certificate of Analysis	Oct 16, 2023	C587570
K2306524	Certificate of Analysis	Oct 16, 2023	C587570
K2306501	Certificate of Analysis	Oct 16, 2023	C587570
K2306546	Certificate of Analysis	Oct 16, 2023	C587570
K2306542	Certificate of Analysis	Oct 16, 2023	C587570

Chemical and Physical Properties

Solubility	Insoluble in water.
Melt Point(°C)	219-226℃
Molecular Weight	174.540 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	173.983 Da
Monoisotopic Mass	173.983 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	276.000
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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