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

CAS: 624-75-9 Cat. No.: I102484 Formule: C₂H₂IN Poids moléculaire: 166.95 Beilstein Registry Number: 1734628 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

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

≥98%

Noms et identifiants

Pubchem Sid

508815489

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508815489

Sourires canoniques

C(C#N)I

IUPAC Name

2-iodoacetonitrile

InChIKey

VODKOOOHHCAWFR-UHFFFAOYSA-N

INCHI

1S/C2H2IN/c3-1-2-4/h1H2

Isomères SMILES

C(C#N)I

WGK Allemagne

3

Numéro ONU

3265

Poids moléculaire

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
    • 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 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Indice de réfraction: 1.574
• Point d'éclair (°F): 186.8 °F
• Point d'éclair (°C): 86°C
• Point d'ébullition (°C): 182-184°C
• Poids moléculaire: 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