6-Chloronicotinic Acid - ≥99% , CAS No.5326-23-8

CAS: 5326-23-8 Cat. No.: C128115 Summenformel: C₆H₄ClNO₂ Molekulargewicht: 157.55 Beilstein Registry Number: 115993 EG-Nummer: 226-201-5

GRADE & PURITY ≥99%

Synonyms

6-Chloronicotinic acid, purum, >=97.0% (T) | NSC277 | NSC-277 | BDBM50486226 | BP-12853 | 2-chloro-5-pyridine carboxylic acid | MFCD00066635 | BUTYL3-MERCAPTOPROPIONATE | 6-Chloropyridine-3-carboxylic acid, analytical standard | PS-5330 | EN300-19925 | 6C

Storage

Room temperature

Shipped In

Normal

Übersicht

6-Chloropyridine-3-carboxylic acid (6-chloronicotinic acid/6-CNA) has been used to study its photolytic and photocatalytic degradation. 6-CNA is a degradation product of neonicotinoid insecticides imidacloprid and acetamiprid and is known to appear in different environmental matrices.The product has been used as a media component during the isolation of 6-CNA degrading bacterial strain from imidacloprid-exposed soil samples.

Specifications

Synonyme

6-Chloronicotinic acid, purum, >=97.0% (T) | NSC277 | NSC-277 | BDBM50486226 | BP-12853 | 2-chloro-5-pyridine carboxylic acid | MFCD00066635 | BUTYL3-MERCAPTOPROPIONATE | 6-Chloropyridine-3-carboxylic acid, analytical standard | PS-5330 | EN300-19925 | 6C

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488185694

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185694

Kanonisches Lächeln

C1=CC(=NC=C1C(=O)O)Cl

IUPAC Name

6-chloropyridine-3-carboxylic acid

InChIKey

UAWMVMPAYRWUFX-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)

Isomere SMILES

C1=CC(=NC=C1C(=O)O)Cl

WGK Deutschland

3

Molekulargewicht

157.55

Beilstein

115993

Reaxy-Rn

115993

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115993&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Data sources

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

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NAPRT Tchem Nicotinate phosphoribosyltransferase (2 Activities)

Discover Target: NAPRT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TYR Tclin Tyrosinase (717 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

norA Quinolone resistance protein norA (2171 Activities)

Discover Target: norA

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Cat Catalase (15 Activities)

Discover Target: Cat

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol,Ether,Ethanol; Slightly soluble in Chloroform,Benzene
• Molekulargewicht: 157.550 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.993 Da
• Monoisotopic Mass: 156.993 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5326-23-8, the molecular formula is C6H4ClNO2, and the molecular weight is 157.55 g/mol. InChIKey UAWMVMPAYRWUFX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.