Pyrazinecarbonitrile - ≥99% , CAS No.19847-12-2

CAS: 19847-12-2 Cat. No.: P121629 Peso molecular: 105.1 Beilstein Registry Number: 110008 Número EC: 243-369-5

GRADE & PURITY ≥99%

Synonyms

Benzyl monosulfide | 4,4-Azodianiline | 74CP756B49 | SCHEMBL151926 | PncA Inhibitor, 6 | HY-Y0131 | NSC72371 | NSC-72371 | FT-0612119 | UNII-74CP756B49 | W-107669 | Z448103898 | EINECS 243-369-5 | STL163427 | AB02102 | PYRAZINYL CYANIDE | AM81383 | Antody

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Benzyl monosulfide | 4, 4-Azodianiline | 74CP756B49 | SCHEMBL151926 | PncA Inhibitor, 6 | HY-Y0131 | NSC72371 | NSC-72371 | FT-0612119 | UNII-74CP756B49 | W-107669 | Z448103898 | EINECS 243-369-5 | STL163427 | AB02102 | PYRAZINYL CYANIDE | AM81383 | Antody

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488184759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184759
• Sonrisas canónicas: C1=CN=C(C=N1)C#N
• IUPAC Name: pyrazine-2-carbonitrile
• InChIKey: PMSVVUSIPKHUMT-UHFFFAOYSA-N
• INCHI: 1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H
• Isómeros SMILES: C1=CN=C(C=N1)C#N
• WGK Alemania: 3
• Peso molecular: 105.1
• Beilstein: 110008
• Reaxy-Rn: 110008
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110008&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• External Descriptors: pyrazines - nitrile

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water; Soluble in Benzene,Ethanol
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°F): 206.6 °F
• Punto de inflamación (°C): 96℃
• Punto de ebullición (°C): 90-93°/15mm
• Punto de fusión (°C): 18-20°C
• Peso molecular: 105.100 g/mol
• XLogP3: 0.000
• 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