Pyridazine-3-carbonitrile - ≥97% , CAS No.53896-49-4

CAS: 53896-49-4 Cat. No.: P170871 Peso molecular: 105.1 Número EC: 694-834-8 PubChem CID: 13642940

GRADE & PURITY ≥97%

Synonyms

A829816 | 3-Cyanopyridazine | Methyl2,5-dichloronicotinate | J-512365 | AKOS005259479 | PB19049 | STL555332 | AC-25543 | MFCD09881239 | SCHEMBL150125 | SY030491 | BCP22397 | PS-9304 | BBL101536 | Pyridazine-3-carbonitrile, 97% | AM20100324 | EN300-113351

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A829816 | 3-Cyanopyridazine | Methyl2, 5-dichloronicotinate | J-512365 | AKOS005259479 | PB19049 | STL555332 | AC-25543 | MFCD09881239 | SCHEMBL150125 | SY030491 | BCP22397 | PS-9304 | BBL101536 | Pyridazine-3-carbonitrile, 97% | AM20100324 | EN300-113351

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198496
• Sonrisas canónicas: C1=CC(=NN=C1)C#N
• IUPAC Name: pyridazine-3-carbonitrile
• InChIKey: PJESVVYWPFAJCS-UHFFFAOYSA-N
• INCHI: 1S/C5H3N3/c6-4-5-2-1-3-7-8-5/h1-3H
• Isómeros SMILES: C1=CC(=NN=C1)C#N
• WGK Alemania: 3
• PubChem CID: 13642940
• Peso molecular: 105.1

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: Pyridazines and derivatives
• Alternative Parents: Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 43-48°C
• Peso molecular: 105.100 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 105.033 Da
• Monoisotopic Mass: 105.033 Da
• Topological Polar Surface Area: 49.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 112.000
• 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