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ethyl 6-chloro-5-nitropyridine-3-carboxylate - 97%, high purity , CAS No.171876-22-5

COA

Grade & Purity:

≥97%

Cas Number: 171876-22-5
Molecular Weight: 230.6
PubChem CID: 3784053
PubChem SID: 504762725

In stock

Item Number

E174947

Grouped product items
SKU	Size	Availability	Price
E174947-1g	1g	3	$59.90
E174947-5g	5g	2	$248.90
E174947-25g	25g	2	$1,033.90
E174947-100g	100g	2	$3,720.90

Basic Description

Synonyms	Ethyl 6-chloro-5-nitronicotinate \| 171876-22-5 \| ethyl 6-chloro-5-nitropyridine-3-carboxylate \| Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate \| ethyl6-chloro-5-nitronicotinate \| MFCD02317481 \| 6-chloro-5-nitro-nicotinic acid ethyl ester \| ethyl 6-chloro-5-nitro-pyridine
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Nitroaromatic compounds 2-halopyridines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description	This 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
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	504762725
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762725
IUPAC Name	ethyl 6-chloro-5-nitropyridine-3-carboxylate
INCHI	InChI=1S/C8H7ClN2O4/c1-2-15-8(12)5-3-6(11(13)14)7(9)10-4-5/h3-4H,2H2,1H3
InChIKey	RJGYARAKIVLQAQ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-]
Isomeric SMILES	CCOC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-]
Molecular Weight	230.6
Reaxy-Rn	19279
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19279&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B23021013	Certificate of Analysis	Nov 08, 2022	E174947
B23021035	Certificate of Analysis	Nov 08, 2022	E174947
B23021039	Certificate of Analysis	Nov 08, 2022	E174947
B2302513	Certificate of Analysis	Nov 08, 2022	E174947

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	230.600 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	230.009 Da
Monoisotopic Mass	230.009 Da
Topological Polar Surface Area	85.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	256.000
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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