Pyridazine - ≥98% , CAS No.289-80-5

CAS: 289-80-5 Cat. No.: P137565 Molecular Weight: 80.09 Beilstein Registry Number: 23,89 EC Number: 206-025-5 PubChem CID: 9259

GRADE & PURITY ≥98%

Synonyms

BCP22434 | EN300-85759 | W-202210 | AM20090381 | oizine | 449GLA0653 | Pyridazine, 98% | Q420238 | STL373492 | InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4 | UNII-449GLA0653 | MFCD00006463 | NSC 90792 | 1,2-Diazabenzene | Orthodiazine | o-Diazine | P0616 | A819700

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

BCP22434 | EN300-85759 | W-202210 | AM20090381 | oizine | 449GLA0653 | Pyridazine, 98% | Q420238 | STL373492 | InChI=1/C4H4N2/c1-2-4-6-5-3-1/h1-4 | UNII-449GLA0653 | MFCD00006463 | NSC 90792 | 1, 2-Diazabenzene | Orthodiazine | o-Diazine | P0616 | A819700

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=NN=C1
• IUPAC Name: pyridazine
• InChIKey: PBMFSQRYOILNGV-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
• Isomeric SMILES: C1=CC=NN=C1
• WGK Germany: 3
• RTECS: UR5267000
• PubChem CID: 9259
• Molecular Weight: 80.09
• Beilstein: 23,89
• Reaxy-Rn: 103906

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: Pyridazines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
• External Descriptors: pyridazines - diazine

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

Associated Targets(Human)

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with water, benzene, DMF. Soluble in alcohol, ether
• Sensitivity: Air & Heat sensitive
• Refractive Index: 1.52
• Flash Point(°F): 185 °F
• Flash Point(°C): 85°C(lit.)
• Boil Point(°C): 208 °C
• Melt Point(°C): -8°C(lit.)
• Molecular Weight: 80.090 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 80.0374 Da
• Monoisotopic Mass: 80.0374 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.500
• 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