3-amino-6-chloro-pyridazin-4-ol - ≥97% , CAS No.1361947-75-2

CAS: 1361947-75-2 Cat. No.: A680902 Molecular Weight: 145.55 EC Number: 853-808-8 PubChem CID: 129919552

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(NN=C(C1=O)N)Cl
• IUPAC Name: 3-amino-6-chloro-1H-pyridazin-4-one
• InChIKey: OSMCGNGRWOTGKI-UHFFFAOYSA-N
• INCHI: 1S/C4H4ClN3O/c5-3-1-2(9)4(6)8-7-3/h1H,(H2,6,8)(H,7,9)
• Isomeric SMILES: C1=C(NN=C(C1=O)N)Cl
• PubChem CID: 129919552
• Molecular Weight: 145.55

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: Imidolactams Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Imidolactam - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Cyclic ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - 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

Chemical and Physical Properties

• Molecular Weight: 145.550 g/mol
• XLogP3: 0.100
• 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