Isobutyronitrile - ≥99.2% , CAS No.78-82-0

CAS: 78-82-0 Cat. No.: I475044 Formula: C₄H₇N Peso molecolare: 69.11 Numero EC: 201-147-5

GRADE & PURITY ≥99.2%

Synonyms

Isopropyl Cyanide | 2-Methylpropionitrile

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Panoramica

Description

Isobutyronitrile (IBN) is an aliphatic nitrile. It is widely used as a solvent for electrochemical analyses. IBN can be prepared from amino acids, via anaerobic degradation. It undergoes oxidative dehydrogenation in the presence of an iron phosphate catalyst to afford methacrylonitrile, acetone, carbon oxides and traces of cyanic acid.

Specifications

Sinonimi

Isopropyl Cyanide | 2-Methylpropionitrile

Specifiche e purezza

≥99.2%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥99.2%

Nomi e identificatori

Pubchem Sid

488180096

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180096

Sorrisi canonici

CC(C)C#N

IUPAC Name

2-methylpropanenitrile

InChIKey

LRDFRRGEGBBSRN-UHFFFAOYSA-N

INCHI

1S/C4H7N/c1-4(2)3-5/h4H,1-2H3

Isomeri SMILES

CC(C)C#N

WGK Germania

2

RTECS

TZ4900000

Numero UN

2284

Gruppo di imballaggio

II

Peso molecolare

69.11

Reaxy-Rn

1340512

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1340512&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• External Descriptors: a small molecule

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

Obiettivi associati (umani)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble water; Easily soluble in alcohol and ether; Soluble in acetone
• Sensibilità: Moisture sensitive; Heat sensitive
• Indice di rifrazione: 1.3740
• Punto di infiammabilità (°F): 46.4 °F
• Punto di infiammabilità (°C): 8 °C
• Punto di ebollizione (°C): 107°C
• Punto di fusione (°C): -75°C
• Peso molecolare: 69.110 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 69.0578 Da
• Monoisotopic Mass: 69.0578 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 55.300
• 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