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

CAS: 100-54-9 Cat. No.: N104919 Formule: C₆H₄N₂ Poids moléculaire: 104.11 Beilstein Registry Number: 107711 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504750346

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

QT3030000

Poids moléculaire

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
    • Classe Pyridines and derivatives
      • Subclass 3-pyridinecarbonitriles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Easily soluble in water, soluble in ethanol, ether, and benzene.
• Sensibilité: Air & Moisture & Heat Sensitive
• Point d'éclair (°F): 190.4 °F
• Point d'éclair (°C): 84℃
• Point d'ébullition (°C): 201°C
• Point de fusion (°C): 47-51°C
• Poids moléculaire: 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

Foire aux questions

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.