2,6-Dichloropyridine-4-carbonyl chloride - ≥97% , CAS No.42521-08-4

CAS: 42521-08-4 Cat. No.: D170301 Molecular Weight: 210.45 EC Number: 628-211-9

GRADE & PURITY ≥97%

Synonyms

DS-6115 | 2,6-dichloro-4-pyridinecarbonyl chloride | 2,6-dichloro-pyridine-4-carboxylic acid chloride | 2,6-dichloropyridine-4-carboxylic acid chloride | A6932 | AMY24760 | SCHEMBL794174 | 2,6-Dichloropyridine-4-carbonyl chloride, 97% | 2,6-dichloropyridi

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DS-6115 | 2, 6-dichloro-4-pyridinecarbonyl chloride | 2, 6-dichloro-pyridine-4-carboxylic acid chloride | 2, 6-dichloropyridine-4-carboxylic acid chloride | A6932 | AMY24760 | SCHEMBL794174 | 2, 6-Dichloropyridine-4-carbonyl chloride, 97% | 2, 6-dichloropyridi

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762058
• Canonical Smiles: C1=C(C=C(N=C1Cl)Cl)C(=O)Cl
• IUPAC Name: 2,6-dichloropyridine-4-carbonyl chloride
• InChIKey: QLRUROKTVFUQIV-UHFFFAOYSA-N
• INCHI: 1S/C6H2Cl3NO/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H
• Isomeric SMILES: C1=C(C=C(N=C1Cl)Cl)C(=O)Cl
• WGK Germany: 3
• UN Number: 3261
• Packing Group: II
• Molecular Weight: 210.45
• Reaxy-Rn: 4994
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4994&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 and derivatives
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid or derivatives - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Acyl halide - Acyl chloride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
• 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

• Sensitivity: Moisture & air sensitive
• Refractive Index: n20/D 1.579
• Boil Point(°C): 243 °C
• Melt Point(°C): 25°C
• Molecular Weight: 210.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 208.92 Da
• Monoisotopic Mass: 208.92 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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