2,6-Pyridinedicarbonyl chloride - ≥96% , CAS No.3739-94-4

CAS: 3739-94-4 Cat. No.: P113211 Molecular Weight: 204.01 Beilstein Registry Number: 131556 EC Number: 223-125-4

GRADE & PURITY ≥96%

Synonyms

pyridine-2,6-dicarbonyl chloride | Pyridine-2,6-dicarboxylic acid chloride | 2,6-Pyridinedicarboxylic acid chloride | E78148 | W-111716 | 1-(4,7,7-trimethylnorcaran-3-yl)ethanol | Pyridine-2,6-dicarbonyl dichloride | DTXSID70958483 | A823625 | 2,6-Pyridin

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

2,6-Pyridinedicarbonyl chloride was used as the reagent during the synthesis of pyridine-based polyamido-polyester optically active macrocycles. It was used as starting reagent during the synthesis of pyridine-bridged 2,6-bis-carboxamide Schiff′s bases. It was used in the synthesis of N,N′-bis(1-pyrenylmethyl)pyridine-2,6-dicarboxamide.

Specifications

Synonyms

pyridine-2, 6-dicarbonyl chloride | Pyridine-2, 6-dicarboxylic acid chloride | 2, 6-Pyridinedicarboxylic acid chloride | E78148 | W-111716 | 1-(4, 7, 7-trimethylnorcaran-3-yl)ethanol | Pyridine-2, 6-dicarbonyl dichloride | DTXSID70958483 | A823625 | 2, 6-Pyridin

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504755168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755168
• Canonical Smiles: C1=CC(=NC(=C1)C(=O)Cl)C(=O)Cl
• IUPAC Name: pyridine-2,6-dicarbonyl chloride
• InChIKey: GWHOGODUVLQCEB-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H
• Isomeric SMILES: C1=CC(=NC(=C1)C(=O)Cl)C(=O)Cl
• WGK Germany: 3
• Molecular Weight: 204.01
• Beilstein: 131556
• Reaxy-Rn: 131556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131556&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: 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 - Heteroaromatic compound - Azacycle - Acyl halide - Acyl chloride - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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

• Solubility: Insoluble in water.
• Sensitivity: Moisture sensitive
• Molecular Weight: 204.010 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.954 Da
• Monoisotopic Mass: 202.954 Da
• Topological Polar Surface Area: 47.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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

References

1. Hang Han, Xiao Liu, Jiahuan Zhang, Lingna Su, Zhiqiang Li.  (2023)  Construction of anisotropic near-infrared luminescent elastomers via magnetic orientation.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2022.119646]

2. Jing Yang, Tingting Wang, Ran Guo, Decui Yao, Weiwei Guo, Shuo Liu, Zhiqiang Li, Yige Wang, Huanrong Li.  (2020)  Self-Healing Material with Reversible Luminescence Switch Behavior.  ACS Applied Materials & Interfaces,      [PMID:33211483] [10.1021/acsami.0c13509]

3. Lvchao Qiu, Yutong Zhou, Zhoufeng Zhao, Qi Wang, Lijun Chu, Shipeng Wen.  (2024)  Constructing Self-Healing Polydimethylsiloxane through Molecular Structure Design and Metal Ion Bonding.  Polymers,  16  (10): (1309).  [PMID:38794502] [10.3390/polym16101309]