Nicotinonitrile - ≥98%(GC) , CAS No.100-54-9

CAS: 100-54-9 Cat. No.: N104919 Fórmula: C₆H₄N₂ Peso molecular: 104.11 Beilstein Registry Number: 107711 Número EC: 202-863-0

GRADE & PURITY ≥98%(GC)

Synonyms

3-Pyridyl cyanide | NCGC00248004-02 | NSC17558 | NSC-17558 | 3-Pyridinecarboxylic acid, nitrile | CHEBI:86556 | EC 202-863-0 | SB52234 | 3-cyanopyridine | 3-Pyridinecarbonitrile, 98% | Nicotinonitrile | AC-2424 | AM81277 | BRN 0107711 | DTXSID1026665 | In

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3-Pyridyl cyanide | NCGC00248004-02 | NSC17558 | NSC-17558 | 3-Pyridinecarboxylic acid, nitrile | CHEBI:86556 | EC 202-863-0 | SB52234 | 3-cyanopyridine | 3-Pyridinecarbonitrile, 98% | Nicotinonitrile | AC-2424 | AM81277 | BRN 0107711 | DTXSID1026665 | In

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504750346

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750346

Sonrisas canónicas

C1=CC(=CN=C1)C#N

IUPAC Name

pyridine-3-carbonitrile

InChIKey

GZPHSAQLYPIAIN-UHFFFAOYSA-N

INCHI

1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H

Isómeros SMILES

C1=CC(=CN=C1)C#N

WGK Alemania

3

RTECS

QT3030000

Peso molecular

104.11

Beilstein

107711

Reaxy-Rn

107711

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107711&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass 3-pyridinecarbonitriles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: 3-pyridinecarbonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-pyridinecarbonitriles
• Alternative Parents: Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridinecarbonitrile - 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 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
• External Descriptors: a 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: Easily soluble in water, soluble in ethanol, ether, and benzene.
• Sensibilidad: Air & Moisture & Heat Sensitive
• Punto de inflamación (°F): 190.4 °F
• Punto de inflamación (°C): 84℃
• Punto de ebullición (°C): 201°C
• Punto de fusión (°C): 47-51°C
• Peso molecular: 104.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 104.037 Da
• Monoisotopic Mass: 104.037 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 111.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 100-54-9, the molecular formula is C6H4N2, and the molecular weight is 104.11 g/mol. InChIKey GZPHSAQLYPIAIN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.