Cas no 23877-63-6 (Benzonitrile, 2-(1-methylethenyl)-)

Benzonitrile, 2-(1-methylethenyl)-, is a specialized organic compound featuring a benzonitrile core substituted with a 1-methylethenyl group at the 2-position. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its nitrile group offers versatility for further functionalization, while the vinyl substituent enables participation in polymerization or addition reactions. The compound's stability and well-defined reactivity profile ensure consistent performance in synthetic applications. It is typically handled under standard laboratory conditions, though proper precautions should be taken due to the nitrile functionality. Suitable for use in research and industrial settings requiring precise molecular building blocks.
Benzonitrile, 2-(1-methylethenyl)- structure
23877-63-6 structure
Product Name:Benzonitrile, 2-(1-methylethenyl)-
CAS No:23877-63-6
MF:C10H9N
MW:143.185162305832
CID:3917555
PubChem ID:12180249
Update Time:2025-06-29

Benzonitrile, 2-(1-methylethenyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-(1-methylethenyl)-
    • 2-prop-1-en-2-ylbenzonitrile
    • 23877-63-6
    • SCHEMBL2655533
    • 2-(Prop-1-en-2-yl)benzonitrile
    • Inchi: 1S/C10H9N/c1-8(2)10-6-4-3-5-9(10)7-11/h3-6H,1H2,2H3
    • InChI Key: DOOVGBOLQKPYFI-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC=CC=C1C(C)=C

Computed Properties

  • Exact Mass: 143.073499291Da
  • Monoisotopic Mass: 143.073499291Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 196
  • 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: 3.2
  • Topological Polar Surface Area: 23.8?2

Benzonitrile, 2-(1-methylethenyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y1289350-500mg
2-prop-1-en-2-ylbenzonitrile
23877-63-6 95%
500mg
$595 2025-02-20
eNovation Chemicals LLC
Y1289350-1g
2-prop-1-en-2-ylbenzonitrile
23877-63-6 95%
1g
$695 2025-02-20
eNovation Chemicals LLC
Y1289350-500mg
2-prop-1-en-2-ylbenzonitrile
23877-63-6 95%
500mg
$595 2025-02-27
eNovation Chemicals LLC
Y1289350-1g
2-prop-1-en-2-ylbenzonitrile
23877-63-6 95%
1g
$695 2025-02-27
eNovation Chemicals LLC
Y1289350-500mg
2-prop-1-en-2-ylbenzonitrile
23877-63-6 95%
500mg
$595 2024-07-28
eNovation Chemicals LLC
Y1289350-1g
2-prop-1-en-2-ylbenzonitrile
23877-63-6 95%
1g
$695 2024-07-28

Additional information on Benzonitrile, 2-(1-methylethenyl)-

Benzonitrile, 2-(1-methylethenyl)- (CAS No. 23877-63-6)

Benzonitrile, 2-(1-methylethenyl)-, also known by its CAS registry number CAS No. 23877-63-6, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound, characterized by its structure containing a benzonitrile group and a substituted vinyl group, has garnered attention due to its unique chemical properties and potential for further functionalization. Recent studies have highlighted its role in the synthesis of advanced materials, including polymers and pharmaceutical intermediates.

The synthesis of Benzonitrile, 2-(1-methylethenyl)- typically involves the use of palladium-catalyzed coupling reactions or other transition metal-mediated processes. These methods have been optimized in recent years to enhance yield and selectivity, making the compound more accessible for large-scale production. Researchers have also explored alternative routes using biocatalysts, which offer an environmentally friendly approach to synthesizing this compound.

In terms of applications, Benzonitrile, 2-(1-methylethenyl)- serves as a valuable intermediate in the production of specialty chemicals. Its ability to undergo various functional group transformations makes it a key building block in organic synthesis. For instance, it can be converted into amides, esters, or other nitrile derivatives through simple chemical reactions. Recent advancements in catalytic chemistry have further expanded its utility in the development of bioactive molecules and agrochemicals.

The chemical stability of Benzonitrile, 2-(1-methylethenyl)- under diverse reaction conditions has been extensively studied. It exhibits good thermal stability and is resistant to oxidation under mild conditions, which are advantageous for its use in high-temperature applications or long-term storage. However, exposure to strong oxidizing agents or extreme conditions may lead to decomposition or side reactions.

From an environmental standpoint, the ecological impact of Benzonitrile, 2-(1-methylethenyl)- has been a topic of recent research interest. Studies indicate that it is not inherently toxic at typical exposure levels but may undergo biodegradation under specific environmental conditions. Regulatory agencies have established guidelines for safe handling and disposal to minimize its environmental footprint.

In conclusion, Benzonitrile, 2-(1-methylethenyl)- (CAS No. 23877-63-6) remains a pivotal compound in modern organic chemistry due to its structural versatility and wide-ranging applications. Ongoing research continues to uncover new avenues for its utilization in both industrial and academic settings.

Recommended suppliers
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent