5-Amino-4-chloropyridazin-3(2H)-one - ≥95% , CAS No.6339-19-1

CAS: 6339-19-1 Cat. No.: A194323 Molecular Weight: 145.55 EC Number: 696-510-1

GRADE & PURITY ≥95%

Synonyms

6-Amino-7,9-dihydro-2-(2-methoxyethoxy)-9-(phenylmethyl)-8H-purin-8-one | SY024000 | Chloridazon-desphenyl 10 microg/mL in Acetonitrile | FT-0666262 | NSC38293 | NSC-38293 | EN300-107044 | PB10202 | 5-AMINO-4-CHLORO-2,3-DIHYDROPYRIDAZIN-3-ONE | ((S)-1-eth

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

6-Amino-7, 9-dihydro-2-(2-methoxyethoxy)-9-(phenylmethyl)-8H-purin-8-one | SY024000 | Chloridazon-desphenyl 10 microg/mL in Acetonitrile | FT-0666262 | NSC38293 | NSC-38293 | EN300-107044 | PB10202 | 5-AMINO-4-CHLORO-2, 3-DIHYDROPYRIDAZIN-3-ONE | ((S)-1-eth

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186945
• Canonical Smiles: C1=NNC(=O)C(=C1N)Cl
• IUPAC Name: 4-amino-5-chloro-1H-pyridazin-6-one
• InChIKey: FEWPCPCEGBPTAL-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)
• Isomeric SMILES: C1=NNC(=O)C(=C1N)Cl
• Molecular Weight: 145.55
• Reaxy-Rn: 120958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120958&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: Aminopyridazines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine ring.
• External Descriptors: organochlorine compound - primary arylamine - pyridazines - heteroaryl hydroxy compound

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
• Molecular Weight: 145.550 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 145.004 Da
• Monoisotopic Mass: 145.004 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 208.000
• 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