2-Iodonicotinonitrile - ≥95% , CAS No.490039-73-1

CAS: 490039-73-1 Cat. No.: I184748 Formule: C₆H₃IN₂ Poids moléculaire: 230.00 Numéro CE: 814-126-6

GRADE & PURITY ≥95%

Synonyms

MFCD08436053 | AKOS015853597 | PS-4877 | SCHEMBL2203372 | 2-iodopyridine-3-carbonitrile | 2-Iodonicotinonitrile | 2-iodonicotinonitrile, AldrichCPR | 3-cyano-2-iodopyridine | A871847 | DTXSID50473164 | DWOZARUWGMZCHN-UHFFFAOYSA-N | 3-Pyridinecarbonitrile,

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

MFCD08436053 | AKOS015853597 | PS-4877 | SCHEMBL2203372 | 2-iodopyridine-3-carbonitrile | 2-Iodonicotinonitrile | 2-iodonicotinonitrile, AldrichCPR | 3-cyano-2-iodopyridine | A871847 | DTXSID50473164 | DWOZARUWGMZCHN-UHFFFAOYSA-N | 3-Pyridinecarbonitrile,

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,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

≥95%

Noms et identifiants

Sourires canoniques

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

IUPAC Name

2-iodopyridine-3-carbonitrile

InChIKey

DWOZARUWGMZCHN-UHFFFAOYSA-N

INCHI

1S/C6H3IN2/c7-6-5(4-8)2-1-3-9-6/h1-3H

Isomères SMILES

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

Poids moléculaire

230.00

Reaxy-Rn

9385999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9385999&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: 2-halopyridines Aryl iodides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridinecarbonitrile - 2-halopyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen 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: 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

Propriétés chimiques et physiques

• Poids moléculaire: 230.010 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 229.934 Da
• Monoisotopic Mass: 229.934 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 137.000
• 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?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, 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 490039-73-1, the molecular formula is C6H3IN2, and the molecular weight is 230.00 g/mol. InChIKey DWOZARUWGMZCHN-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.