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

CAS: 6339-19-1 Cat. No.: A194323 Peso molecular: 145.55 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488186945
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=NNC(=O)C(=C1N)Cl
• Peso molecular: 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
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 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