2-Iodobenzonitrile - ≥98% , CAS No.4387-36-4

CAS: 4387-36-4 Cat. No.: I103576 Fórmula: C₇H₄IN Peso molecular: 229.02 Beilstein Registry Number: 9(3)1436 Número EC: 610-156-7

GRADE & PURITY ≥98%

Synonyms

A7018 | PS-7743 | 2-cyanoiodobenzene | MFCD00079761 | DTXSID40374757 | 2-Cyanophenyl iodide | EN300-59601 | AM20040480 | FT-0612668 | Benzonitrile, 2-iodo- | 2-Iodobenzonitrile | AC-1185 | 2-Iodophenyl cyanide | SCHEMBL365279 | AE-641/03255019 | JDDAFHUEO

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

A7018 | PS-7743 | 2-cyanoiodobenzene | MFCD00079761 | DTXSID40374757 | 2-Cyanophenyl iodide | EN300-59601 | AM20040480 | FT-0612668 | Benzonitrile, 2-iodo- | 2-Iodobenzonitrile | AC-1185 | 2-Iodophenyl cyanide | SCHEMBL365279 | AE-641/03255019 | JDDAFHUEO

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488193136

Sonrisas canónicas

C1=CC=C(C(=C1)C#N)I

IUPAC Name

2-iodobenzonitrile

InChIKey

JDDAFHUEOVUDFJ-UHFFFAOYSA-N

INCHI

1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H

Isómeros SMILES

C1=CC=C(C(=C1)C#N)I

WGK Alemania

3

Peso molecular

229.02

Beilstein

9(3)1436

Reaxy-Rn

1859738

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859738&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Iodobenzenes Aryl iodides Nitriles Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): 110°C
• Punto de ebullición (°C): 147°C/15mmHg
• Punto de fusión (°C): 53.0-57.0°C
• Peso molecular: 229.020 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 228.939 Da
• Monoisotopic Mass: 228.939 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4387-36-4, the molecular formula is C7H4IN, and the molecular weight is 229.02 g/mol. InChIKey JDDAFHUEOVUDFJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.