Cas no 61698-07-5 (3-(2-bromophenyl)propanenitrile)

3-(2-bromophenyl)propanenitrile structure
61698-07-5 structure
Product Name:3-(2-bromophenyl)propanenitrile
CAS No:61698-07-5
MF:C9H8BrN
MW:210.070521354675
MDL:MFCD09836151
CID:469544
PubChem ID:13308298
Update Time:2025-07-17

3-(2-bromophenyl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanenitrile, 2-bromo-
    • 2-bromoBenzenepropanenitrile
    • 3-(2-bromophenyl)propanenitrile
    • DTXSID80536155
    • AKOS010643887
    • FT-0723767
    • Z815260584
    • A18988
    • AT28728
    • EN300-84311
    • Benzenepropanenitrile,2-broMo-
    • MFCD09836151
    • 61698-07-5
    • SZLHFTWIJCWDER-UHFFFAOYSA-N
    • SCHEMBL1459814
    • CS-0262926
    • DB-073002
    • MDL: MFCD09836151
    • Inchi: 1S/C9H8BrN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2
    • InChI Key: SZLHFTWIJCWDER-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=CC=1CCC#N

Computed Properties

  • Exact Mass: 208.98404
  • Monoisotopic Mass: 208.98401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79

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3-(2-bromophenyl)propanenitrile Suppliers

Amadis Chemical Company Limited
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(CAS:61698-07-5)3-(2-bromophenyl)propanenitrile
Order Number:A18988
Stock Status:in Stock
Quantity:250mg/1g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:01
Price ($):151.0/408.0/1185.0

3-(2-bromophenyl)propanenitrile Related Literature

Additional information on 3-(2-bromophenyl)propanenitrile

Introduction to 3-(2-Bromophenyl)propanenitrile (CAS No. 61698-07-5)

3-(2-Bromophenyl)propanenitrile, also known by its CAS number 61698-07-5, is a versatile organic compound with significant applications in the fields of chemical synthesis, pharmaceutical research, and materials science. This compound is characterized by its unique molecular structure, which consists of a bromophenyl group attached to a propionitrile moiety. The combination of these functional groups imparts specific chemical and physical properties that make it an essential building block in various synthetic pathways.

The molecular formula of 3-(2-bromophenyl)propanenitrile is C9H8BrN, and its molecular weight is approximately 206.07 g/mol. The compound is a colorless to pale yellow liquid at room temperature and has a boiling point of around 190-195°C at atmospheric pressure. It is slightly soluble in water but highly soluble in organic solvents such as ethanol, acetone, and dichloromethane. These solubility properties make it suitable for use in a wide range of chemical reactions and processes.

In the realm of chemical synthesis, 3-(2-bromophenyl)propanenitrile serves as a valuable intermediate for the preparation of more complex molecules. Its bromine atom can be readily substituted or eliminated in various reactions, making it an excellent starting material for the synthesis of substituted phenylpropionitriles and related compounds. For instance, recent studies have explored the use of this compound in the development of novel catalysts and ligands for transition metal-catalyzed reactions. These catalysts have shown enhanced activity and selectivity in cross-coupling reactions, which are crucial for the synthesis of pharmaceuticals and fine chemicals.

In the pharmaceutical industry, 3-(2-bromophenyl)propanenitrile has gained attention due to its potential as a precursor for the synthesis of bioactive molecules. Research has shown that derivatives of this compound exhibit promising biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. For example, a study published in the Journal of Medicinal Chemistry reported that certain derivatives of 3-(2-bromophenyl)propanenitrile demonstrated significant inhibition of cancer cell proliferation through the modulation of specific signaling pathways.

The versatility of 3-(2-bromophenyl)propanenitrile extends beyond its use as an intermediate in chemical synthesis. It has also found applications in materials science, particularly in the development of functional polymers and coatings. The presence of the nitrile group provides opportunities for further functionalization and cross-linking, leading to materials with improved mechanical properties and thermal stability. Recent advancements in polymer chemistry have utilized this compound to create novel materials with enhanced performance characteristics for use in electronics, automotive, and aerospace industries.

Safety considerations are paramount when handling 3-(2-bromophenyl)propanenitrile. While it is not classified as a hazardous substance under current regulations, proper precautions should be taken to ensure safe handling and storage. This includes using appropriate personal protective equipment (PPE), such as gloves and safety goggles, and working in well-ventilated areas to minimize exposure to vapors.

In conclusion, 3-(2-bromophenyl)propanenitrile (CAS No. 61698-07-5) is a multifaceted compound with a wide range of applications in chemical synthesis, pharmaceutical research, and materials science. Its unique molecular structure and versatile reactivity make it an invaluable tool for researchers and chemists working on innovative projects across various fields. As ongoing research continues to uncover new possibilities for its use, the importance of this compound is likely to grow even further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:61698-07-5)3-(2-bromophenyl)propanenitrile
A18988
Purity:99%/99%/99%
Quantity:250mg/1g/5g
Price ($):151.0/408.0/1185.0
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