5,6-Dichloronicotinic acid - ≥98% , CAS No.41667-95-2

CAS: 41667-95-2 Cat. No.: D123120 Formula: C₆H₃Cl₂NO₂ Peso molecolare: 192 Beilstein Registry Number: 383740 Numero EC: 609-951-1

GRADE & PURITY ≥98%

Synonyms

3-PYRIDINECARBOXYLIC ACID, 5,6-DICHLORO- | PB29008 | F0001-1167 | NSC 63885 | NSC63885 | NSC-63885 | 5.6-dichloronicotinic acid | 12X-0700 | CL0206 | 5,6-Dichloro-3-pyridinecarboxylic Acid | HY-W007398 | 2,3-dichloro-5-carboxypyridine | 5,6 dichloropyridi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-PYRIDINECARBOXYLIC ACID, 5,6-DICHLORO- | PB29008 | F0001-1167 | NSC 63885 | NSC63885 | NSC-63885 | 5.6-dichloronicotinic acid | 12X-0700 | CL0206 | 5,6-Dichloro-3-pyridinecarboxylic Acid | HY-W007398 | 2,3-dichloro-5-carboxypyridine | 5,6 dichloropyridi

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488189000

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189000

Sorrisi canonici

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

IUPAC Name

5,6-dichloropyridine-3-carboxylic acid

InChIKey

RNRLTTNKVLFZJS-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

192

Beilstein

383740

Reaxy-Rn

383740

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383740&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 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 - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 164°C
• Peso molecolare: 192.000 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.954 Da
• Monoisotopic Mass: 190.954 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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 41667-95-2, the molecular formula is C6H3Cl2NO2, and the molecular weight is 192 g/mol. InChIKey RNRLTTNKVLFZJS-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.