6-Fluoropyridazin-3-amine - ≥95% , CAS No.108784-42-5

CAS: 108784-42-5 Cat. No.: F626812 Molecular Weight: 113.09 EC Number: 836-045-5

GRADE & PURITY ≥95%

Synonyms

AMY16977 | C71319 | FUZFBUYOMPPPEB-UHFFFAOYSA-N | 3-Amino-6-fluoropyridazine | 6-Fluoro-pyridazin-3-ylamine | 6-fluoropyridazin-3-ylamine | SB12446 | DTXSID40547540 | AS-58419 | EN300-31

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AMY16977 | C71319 | FUZFBUYOMPPPEB-UHFFFAOYSA-N | 3-Amino-6-fluoropyridazine | 6-Fluoro-pyridazin-3-ylamine | 6-fluoropyridazin-3-ylamine | SB12446 | DTXSID40547540 | AS-58419 | EN300-31

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=NN=C1N)F
• IUPAC Name: 6-fluoropyridazin-3-amine
• InChIKey: FUZFBUYOMPPPEB-UHFFFAOYSA-N
• INCHI: 1S/C4H4FN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8)
• Isomeric SMILES: C1=CC(=NN=C1N)F
• Alternate CAS: 108784-42-5
• Molecular Weight: 113.09

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 fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Imidolactam - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - 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

• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 113.090 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 113.039 Da
• Monoisotopic Mass: 113.039 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