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

CAS: 371764-70-4 Cat. No.: C729131 Formula: C₇H₃ClIN Peso molecolare: 263.46 Numero EC: 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

Sinonimi

Benzonitrile,2-chloro-4-iodo

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

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

PubChem CID

17966021

Peso molecolare

263.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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