4,6-Dichloronicotinic Acid - ≥97% , CAS No.73027-79-9

CAS: 73027-79-9 Cat. No.: D177300 Molecular Weight: 192 EC Number: 695-891-1

GRADE & PURITY ≥97%

Synonyms

D5311 | 2,4-dichloropyridine-5-carboxylic acid | ILMIEWNDXAKVNI-UHFFFAOYSA-N | HY-W002553 | Z1201619913 | 2,4-Dichloro-5-carboxylpyridine;4,6-Dichloropyridine-3-carboxylic acid | 4.6-dichloronicotinic acid | AB05151 | MFCD00234146 | 4,6-DICHLORO NICOTINIC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application
4,6-Dichloronicotinic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields

Specifications

Synonyms

D5311 | 2, 4-dichloropyridine-5-carboxylic acid | ILMIEWNDXAKVNI-UHFFFAOYSA-N | HY-W002553 | Z1201619913 | 2, 4-Dichloro-5-carboxylpyridine;4, 6-Dichloropyridine-3-carboxylic acid | 4.6-dichloronicotinic acid | AB05151 | MFCD00234146 | 4, 6-DICHLORO NICOTINIC

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504760190
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760190
• Canonical Smiles: C1=C(C(=CN=C1Cl)C(=O)O)Cl
• IUPAC Name: 4,6-dichloropyridine-3-carboxylic acid
• InChIKey: ILMIEWNDXAKVNI-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
• Isomeric SMILES: C1=C(C(=CN=C1Cl)C(=O)O)Cl
• Molecular Weight: 192
• Reaxy-Rn: 136220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136220&ln=

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: Polyhalopyridines 1-carboxy-2-haloaromatic compounds 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous 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
• 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

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

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Melt Point(°C): 152 °C(dec.)
• Molecular Weight: 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