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CS-W001157 4
Total: USD 88.00

2-(1-Benzothiophen-3-yl)acetonitrile

  • CAS No. 3216-48-6

  • Cat. No. CS-0216424
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-(1-Benzothiophen-3-yl)acetonitrile|CS-0216424

Structure of 3216-48-6

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General Information

  • CAS No. 3216-48-6
  • Cat. No. CS-0216424
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NS
  • Molecular Weight 173.23
  • Synonym(s) Benzo[b]thiophene-3-acetonitrile
  • SMILES C1=CC=C2C(=C1)C(=CS2)CC#N

Description

Undecane-1,11-diol is widely used in a variety of scientific research applications. It is commonly used as a solvent in laboratory experiments, as it is non-toxic and has a low boiling point. It is also used as a surfactant in various applications, such as in the production of detergents and cosmetics. It is also used as a lubricant and as a stabilizing agent in various applications. In addition, it is used in the production of polymers, such as polyurethanes, and as a base for the synthesis of various compounds.

Synthesis

  • Route1
    • 3-(Chloromethyl)benzo[b]thiophene|CS-1665413
      3216-47-5
    • null|null
      143-33-9
    • ~64%
    • In-stock
      2-(1-Benzothiophen-3-yl)acetonitrile|CS-0216424
      3216-48-6

    References

    • MIKANA THERAPEUTICS, INC. Patent: WO2006/88949 A1, 2006 ; Location in patent: Page/Page column 170-172 ;
  • Route2
    • 3-(Chloromethyl)benzo[b]thiophene|CS-1665413
      3216-47-5
    • null|null
      151-50-8
    • ~27%
    • In-stock
      2-(1-Benzothiophen-3-yl)acetonitrile|CS-0216424
      3216-48-6

    References

    • Efange, Simon M. N.; Mash, Deborah C.; Khare, Anil B.; Ouyang, Quinjie Journal of Medicinal Chemistry, 1998 , vol. 41, # 23 p. 4486 - 4491
  • Route3
    • 3-(Chloromethyl)benzo[b]thiophene|CS-1665413
      3216-47-5
    • ~%
    • In-stock
      2-(1-Benzothiophen-3-yl)acetonitrile|CS-0216424
      3216-48-6

    References

    • US5424315 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.96738
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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