6-Chloroimidazo[1,2-b]pyridazine-2-carboxylic Acid - ≥97% , CAS No.14714-24-0

CAS: 14714-24-0 Cat. No.: C348006 Molecular Weight: 197.58 EC Number: 639-375-6

GRADE & PURITY ≥97%

Synonyms

6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid, AldrichCPR | MFCD04974055 | EN300-86221 | DTXSID80383282 | SY006970 | AN-584/43408295 | A808614 | PB23408 | HTUZJYQXKFDVLT-UHFFFAOYSA-N | PS-5996 | 6-chloro-imidazo[1,2-b]pyridazine-2-carboxylic acid | 6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

A pyridazine derivative exhibiting antihistaminic or eosinophil chemotaxis-inhibiting activity.

Specifications

Synonyms

6-chloroimidazo[1, 2-b]pyridazine-2-carboxylic acid, AldrichCPR | MFCD04974055 | EN300-86221 | DTXSID80383282 | SY006970 | AN-584/43408295 | A808614 | PB23408 | HTUZJYQXKFDVLT-UHFFFAOYSA-N | PS-5996 | 6-chloro-imidazo[1, 2-b]pyridazine-2-carboxylic acid | 6

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

• Canonical Smiles: C1=CC(=NN2C1=NC(=C2)C(=O)O)Cl
• IUPAC Name: 6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
• InChIKey: HTUZJYQXKFDVLT-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClN3O2/c8-5-1-2-6-9-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13)
• Isomeric SMILES: C1=CC(=NN2C1=NC(=C2)C(=O)O)Cl
• Molecular Weight: 197.58
• Reaxy-Rn: 784970
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=784970&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: Pyridazines and derivatives N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - N-substituted imidazole - Pyridazine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl 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: Soluble in DMF and DMSO
• Melt Point(°C): >260°C (lit.)(dec.)
• Molecular Weight: 197.580 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 196.999 Da
• Monoisotopic Mass: 196.999 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 226.000
• 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