5-Chloro-2-hydroxynicotinic acid - ≥96% , CAS No.38076-80-1

CAS: 38076-80-1 Cat. No.: C124724 Summenformel: C₆H₄ClNO₃ Molekulargewicht: 173.56 EG-Nummer: 670-411-3

QUALITÄT & REINHEIT ≥96%

Synonyms

(Tetramethyldiamino)diphenylketoimine hydrochloride | AKOS005070951 | C2339 | SCHEMBL21416921 | SCHEMBL329752 | FT-0620254 | 5-chloro-2-oxo-1H-pyridine-3-carboxylic acid | J-517309 | 5-Chloro-2-hydroxynicotinicacid | 5- Chloro-2-hydroxynicotinic acid | 5-

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

(Tetramethyldiamino)diphenylketoimine hydrochloride | AKOS005070951 | C2339 | SCHEMBL21416921 | SCHEMBL329752 | FT-0620254 | 5-chloro-2-oxo-1H-pyridine-3-carboxylic acid | J-517309 | 5-Chloro-2-hydroxynicotinicacid | 5- Chloro-2-hydroxynicotinic acid | 5-

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488188348

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188348

Kanonisches Lächeln

C1=C(C(=O)NC=C1Cl)C(=O)O

IUPAC Name

5-chloro-2-oxo-1H-pyridine-3-carboxylic acid

InChIKey

XBHXNMLFJZTSAS-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)

Isomere SMILES

C1=C(C(=O)NC=C1Cl)C(=O)O

Molekulargewicht

173.56

Reaxy-Rn

8831144

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8831144&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: Dihydropyridinecarboxylic acids and derivatives Pyridinones Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams 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: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 258-260°C
• Schmelzpunkt (°C): 262°C(dec.)(lit.)
• Molekulargewicht: 173.550 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 280.000
• 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 ≥96% 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 38076-80-1, the molecular formula is C6H4ClNO3, and the molecular weight is 173.56 g/mol. InChIKey XBHXNMLFJZTSAS-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.