2-Ethylisonicotinonitrile - ≥97% , CAS No.1531-18-6

CAS: 1531-18-6 Cat. No.: E191103 Formule: C₈H₈N₂ Poids moléculaire: 132.16 Numéro CE: 216-238-5

GRADE & PURITY ≥97%

Synonyms

SB52627 | EINECS 216-238-5 | SCHEMBL3242600 | 4-Pyridinecarbonitrile, 2-ethyl- | BBA424N182 | DTXSID90165218 | FT-0759715 | CL0111 | AC-23134 | DS-9139 | 4-Cyano-2-ethylpyridine | MFCD12546403 | 2-Ethylisonicotinonitrile | A883846 | AKOS022188937 | BAA531

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Product Application：

2-Ethylisonicotinonitrile was used in preparation of nitriles and isonitriles from primary amides and aldoximes.

Specifications

Synonymes

SB52627 | EINECS 216-238-5 | SCHEMBL3242600 | 4-Pyridinecarbonitrile, 2-ethyl- | BBA424N182 | DTXSID90165218 | FT-0759715 | CL0111 | AC-23134 | DS-9139 | 4-Cyano-2-ethylpyridine | MFCD12546403 | 2-Ethylisonicotinonitrile | A883846 | AKOS022188937 | BAA531

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488184796

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184796

Sourires canoniques

CCC1=NC=CC(=C1)C#N

IUPAC Name

2-ethylpyridine-4-carbonitrile

InChIKey

WERAOGVQORFBMU-UHFFFAOYSA-N

INCHI

1S/C8H8N2/c1-2-8-5-7(6-9)3-4-10-8/h3-5H,2H2,1H3

Isomères SMILES

CCC1=NC=CC(=C1)C#N

Poids moléculaire

132.16

Reaxy-Rn

112635

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112635&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Methanol (Slightly)
• Poids moléculaire: 132.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 132.069 Da
• Monoisotopic Mass: 132.069 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 145.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 1531-18-6, the molecular formula is C8H8N2, and the molecular weight is 132.16 g/mol. InChIKey WERAOGVQORFBMU-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.