2-Chloro-4-iodobenzonitrile - ≥95% , CAS No.371764-70-4

CAS: 371764-70-4 Cat. No.: C729131 Summenformel: C₇H₃ClIN Molekulargewicht: 263.46 EG-Nummer: 999-045-5 PubChem CID: 17966021

GRADE & PURITY ≥95%

Synonyms

Benzonitrile,2-chloro-4-iodo

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

Benzonitrile,2-chloro-4-iodo

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C=C1I)Cl)C#N

IUPAC Name

2-chloro-4-iodobenzonitrile

InChIKey

HLFNGYARDINCQT-UHFFFAOYSA-N

INCHI

1S/C7H3ClIN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H

Isomere SMILES

C1=CC(=C(C=C1I)Cl)C#N

PubChem CID

17966021

Molekulargewicht

263.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Nitriles Organopnictogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Carbonitrile - Nitrile - Organohalogen compound - Organochloride - Organoiodide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

• Molekulargewicht: 263.460 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 262.9 Da
• Monoisotopic Mass: 262.9 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• 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