2-Pyridineacetonitrile - ≥98%(GC) , CAS No.2739-97-1

CAS: 2739-97-1 Cat. No.: P160781 Summenformel: C₇H₆N₂ Molekulargewicht: 118.14 Beilstein Registry Number: 111215 EG-Nummer: 220-364-6 PubChem CID: 75959

GRADE & PURITY ≥98%(GC)

Synonyms

2-(pyridin-2-yl)acetonitrile | 2-(pyridin-2-yl)-acetonitrile | DTXSID30181816 | 2-pyridylactonitrile | MFCD00006346 | 2-Pyridylacetonitrile, 99% | DS-1168 | 2-Pyridylacetonitrile | 230447L0GL | 2-pyridyl acetonitrile | 2-pyridin-2-ylacetonitrile | FG-0464

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

2-Pyridylacetonitrile undergoes coupling with aromatic diazonium salts to yield arylhydrazones. It also undergoes condensation with active malonic esters to yield 1-cyano-3-substituted 2-hydroxyquinolizin-4-ones. Acylation reaction of 2-pyridylacetonitrile with hot acetic anhydride has been reported.

2-Pyridineacetonitrile is a useful reagent for the organic synthesis and studies of pyridyl and dihydropyridyl analogs of meperidine and ketobemidone with their antinociceptive activities.

Specifications

Synonyme

2-(pyridin-2-yl)acetonitrile | 2-(pyridin-2-yl)-acetonitrile | DTXSID30181816 | 2-pyridylactonitrile | MFCD00006346 | 2-Pyridylacetonitrile, 99% | DS-1168 | 2-Pyridylacetonitrile | 230447L0GL | 2-pyridyl acetonitrile | 2-pyridin-2-ylacetonitrile | FG-0464

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488185192

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185192

Kanonisches Lächeln

C1=CC=NC(=C1)CC#N

IUPAC Name

2-pyridin-2-ylacetonitrile

InChIKey

UKVQBONVSSLJBB-UHFFFAOYSA-N

INCHI

1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2

Isomere SMILES

C1=CC=NC(=C1)CC#N

WGK Deutschland

3

PubChem CID

75959

Molekulargewicht

118.14

Beilstein

111215

Reaxy-Rn

111215

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five 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

Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water.
• Empfindlichkeit: air sensitive; Light sensitive
• Brechungsindex: 1.525(lit.)
• Flammpunkt (°F): 201.2 °F
• Flammpunkt (°C): 93°C
• Siedepunkt (°C): 76-77 °C/2 mmHg(lit.)
• Schmelzpunkt (°C): 23-25°C
• Molekulargewicht: 118.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 118.053 Da
• Monoisotopic Mass: 118.053 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 122.000
• 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

Häufig gestellte Fragen

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 room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2739-97-1, the molecular formula is C7H6N2, and the molecular weight is 118.14 g/mol. InChIKey UKVQBONVSSLJBB-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.