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

CAS: 4387-36-4 Cat. No.: I103576 Summenformel: C₇H₄IN Molekulargewicht: 229.02 Beilstein Registry Number: 9(3)1436 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488193136
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC=C(C(=C1)C#N)I
• WGK Deutschland: 3
• Molekulargewicht: 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
    • 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 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
• 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

• Empfindlichkeit: Light sensitive.
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): 110°C
• Siedepunkt (°C): 147°C/15mmHg
• Schmelzpunkt (°C): 53.0-57.0°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.