5-Chloropyridazin-4-amine - ≥95% , CAS No.53180-92-0

CAS: 53180-92-0 Cat. No.: C193783 Formule: C₄H₄ClN₃ Poids moléculaire: 129.55 Numéro CE: 855-842-9

GRADE & PURITY ≥95%

Synonyms

SY025606 | YUCAFBOLEPKKCB-UHFFFAOYSA-N | P11076 | EN300-107247 | 4-Amino-5-chloropyridazine | MFCD11110434 | DS-1397 | FT-0726774 | 5-Chloro-4-pyridazinamine | SB16055 | SCHEMBL1896551 | 5-Chloropyridazin-4-amine | AKOS006307942 | 4-Pyridazinamine, 5-chlo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

SY025606 | YUCAFBOLEPKKCB-UHFFFAOYSA-N | P11076 | EN300-107247 | 4-Amino-5-chloropyridazine | MFCD11110434 | DS-1397 | FT-0726774 | 5-Chloro-4-pyridazinamine | SB16055 | SCHEMBL1896551 | 5-Chloropyridazin-4-amine | AKOS006307942 | 4-Pyridazinamine, 5-chlo

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528761464
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528761464
• Sourires canoniques: C1=C(C(=CN=N1)Cl)N
• IUPAC Name: 5-chloropyridazin-4-amine
• InChIKey: YUCAFBOLEPKKCB-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClN3/c5-3-1-7-8-2-4(3)6/h1-2H,(H2,6,7)
• Isomères SMILES: C1=C(C(=CN=N1)Cl)N
• Poids moléculaire: 129.55
• Reaxy-Rn: 606628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606628&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridazines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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: 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

Propriétés chimiques et physiques

• Poids moléculaire: 129.550 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.009 Da
• Monoisotopic Mass: 129.009 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 77.700
• 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