6-Chloro-3-nitro-imidazo[1,2-b]pyridazine - ≥98% , CAS No.18087-76-8

CAS: 18087-76-8 Cat. No.: C168046 Molecular Weight: 198.57 EC Number: 628-850-3

GRADE & PURITY ≥98%

Synonyms

6-Chloro-3-nitro-imidazo[1,2-b]pyridazine | 6-Chloro-3-nitroimidazo[1,2-b]pyridazine | DTXSID60441394 | SCHEMBL430605 | 6-CHLORO-3-NITRO-IMIDAZO[1,2-B]PYRIDAZIN | MFCD08276991 | IJEZMDPWGDWYKJ-UHFFFAOYSA-N | Imidazo[6-Chloro-3-nitro-1,2-b]pyridazine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

application：

6-Chloro-3-nitro-imidazo[1,2-b]pyridazine may be used in the synthesis of [2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloropyridin-4-yl]-methyl-[2-(3-nitroimidazo[1,2-b]pyridazin-6-yloxy)-ethyl]amine hydrochloride.

Specifications

Synonyms

6-Chloro-3-nitro-imidazo[1, 2-b]pyridazine | 6-Chloro-3-nitroimidazo[1, 2-b]pyridazine | DTXSID60441394 | SCHEMBL430605 | 6-CHLORO-3-NITRO-IMIDAZO[1, 2-B]PYRIDAZIN | MFCD08276991 | IJEZMDPWGDWYKJ-UHFFFAOYSA-N | Imidazo[6-Chloro-3-nitro-1, 2-b]pyridazine

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765517
• Canonical Smiles: C1=CC(=NN2C1=NC=C2[N+](=O)[O-])Cl
• IUPAC Name: 6-chloro-3-nitroimidazo[1,2-b]pyridazine
• InChIKey: IJEZMDPWGDWYKJ-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClN4O2/c7-4-1-2-5-8-3-6(11(12)13)10(5)9-4/h1-3H
• Isomeric SMILES: C1=CC(=NN2C1=NC=C2[N+](=O)[O-])Cl
• Molecular Weight: 198.57
• Reaxy-Rn: 612920
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=612920&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Nitroimidazoles
• Alternative Parents: Nitroaromatic compounds Pyridazines and derivatives N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroaromatic compound - Nitroimidazole - Aryl chloride - Aryl halide - N-substituted imidazole - Pyridazine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro 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

• Sensitivity: Light sensitive;sensitive to carbon dioxide
• Melt Point(°C): 142-145 °C
• Molecular Weight: 198.570 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 197.994 Da
• Monoisotopic Mass: 197.994 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 221.000
• 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