Iodoacetonitrile (stabilized with Copper chip) - ≥98% , CAS No.624-75-9

CAS: 624-75-9 Cat. No.: I102484 Summenformel: C₂H₂IN Molekulargewicht: 166.95 Beilstein Registry Number: 1734628 EG-Nummer: 210-860-0

GRADE & PURITY ≥98%

Synonyms

Acetonitrile, iodo- | UNII-EXK5ZB5CF6 | cyanomethyl iodide | I0419 | FT-0627258 | A928520 | EXK5ZB5CF6 | Iodoacetonitrile, purum, >=96.0% (GC) | MFCD00001886 | Iodoacetonitrile | iodo-acetonitrile | FS-4598 | InChI=1/C2H2IN/c3-1-2-4/h1H | Iodoacetonitrile

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

Acetonitrile, iodo- | UNII-EXK5ZB5CF6 | cyanomethyl iodide | I0419 | FT-0627258 | A928520 | EXK5ZB5CF6 | Iodoacetonitrile, purum, >=96.0% (GC) | MFCD00001886 | Iodoacetonitrile | iodo-acetonitrile | FS-4598 | InChI=1/C2H2IN/c3-1-2-4/h1H | Iodoacetonitrile

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508815489
• Kanonisches Lächeln: C(C#N)I
• IUPAC Name: 2-iodoacetonitrile
• InChIKey: VODKOOOHHCAWFR-UHFFFAOYSA-N
• INCHI: 1S/C2H2IN/c3-1-2-4/h1H2
• Isomere SMILES: C(C#N)I
• WGK Deutschland: 3
• UN-Nummer: 3265
• Molekulargewicht: 166.95
• Beilstein: 1734628
• Reaxy-Rn: 1734628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734628&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.574
• Flammpunkt (°F): 186.8 °F
• Flammpunkt (°C): 86°C
• Siedepunkt (°C): 182-184°C
• Molekulargewicht: 166.950 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.923 Da
• Monoisotopic Mass: 166.923 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 41.200
• 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