3-Chloro-6-phenylpyridazine - ≥98% , CAS No.20375-65-9

CAS: 20375-65-9 Cat. No.: C138448 Molecular Weight: 190.63 EC Number: 243-772-6

GRADE & PURITY ≥98%

Synonyms

DTXSID10174302 | 3-Chloro-6-phenylpyridazine | 3-Chloro-6-phenyl-pyridazine | NSC 28739 | AKOS005208478 | 3-chloro-6-phenylpyridazin | 6-chloro-3-phenylpyridazine | 2,2-DIMETHYL-1,3-BENZOXAZIN-4-ONE | 1-(2-Mesitylenesulfonyl)-3-nitro-1H-1,2,4-triazole | c

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

It is an heteroaromatic compound and is investigated by cyclic voltammetry and preparative scale electrolysis in the presence and absence of carbon dioxide.Fluorination of 3-chloro-6-phenylpyridazine with KF under solvent-free conditions in the presence of a phase transfer agent, with or without microwave irradiation is reported.
It may be used in the synthesis of 6-substituted phenyl-2-(3í-substituted phenylpyridazin-6í-yl)-2,3,4,5-tetrahydropyridazin-3-ones.

Specifications

Synonyms

DTXSID10174302 | 3-Chloro-6-phenylpyridazine | 3-Chloro-6-phenyl-pyridazine | NSC 28739 | AKOS005208478 | 3-chloro-6-phenylpyridazin | 6-chloro-3-phenylpyridazine | 2, 2-DIMETHYL-1, 3-BENZOXAZIN-4-ONE | 1-(2-Mesitylenesulfonyl)-3-nitro-1H-1, 2, 4-triazole | c

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755945
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755945
• Canonical Smiles: C1=CC=C(C=C1)C2=NN=C(C=C2)Cl
• IUPAC Name: 3-chloro-6-phenylpyridazine
• InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N
• INCHI: 1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
• Isomeric SMILES: C1=CC=C(C=C1)C2=NN=C(C=C2)Cl
• WGK Germany: 3
• Molecular Weight: 190.63
• Reaxy-Rn: 126261
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126261&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridazines
• Alternative Parents: Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyridazine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl 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

Associated Targets(Human)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 159 °C
• Molecular Weight: 190.630 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.03 Da
• Monoisotopic Mass: 190.03 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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