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CS-W001157 4
Total: USD 88.00

2-(4-Isopropylphenyl)acetonitrile

  • CAS No. 4395-87-3

  • Cat. No. CS-W013277
  • Molecule weight159.23
  • Purity≥96%
  • MDL No.MFCD00040892

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

2-(4-Isopropylphenyl)acetonitrile|CS-W013277

Structure of 4395-87-3

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General Information

  • CAS No. 4395-87-3
  • Cat. No. CS-W013277
  • Purity ≥96%
  • MDL No. MFCD00040892
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N
  • Molecular Weight 159.23
  • Synonym(s) Benzeneacetonitrile, 4-(1-methylethyl)- (9CI)
  • SMILES CC(C)C1=CC=C(CC#N)C=C1

Synthesis

  • Route1
    • null|null
      143-33-9
    • null|null
      73789-86-3
    • ~99%
    • In-stock
      2-(4-Isopropylphenyl)acetonitrile|CS-W013277
      4395-87-3

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2009/47240 A1, 2009 ; Location in patent: Page/Page column 84 ; WO 2009/047240 A1
  • Route2
    • null|null
      773837-37-9
    • null|null
      2051-18-5
    • ~%
    • In-stock
      2-(4-Isopropylphenyl)acetonitrile|CS-W013277
      4395-87-3

    References

    • Kissei Pharmaceutical Co., Ltd. Patent: EP1443041 A1, 2004 ; Location in patent: Page 18 ;
  • Route3
    • In-stock
      Tetrabutylammonium iodide|CS-W008605
      311-28-4
    • null|null
      2051-18-5
    • ~%
    • In-stock
      2-(4-Isopropylphenyl)acetonitrile|CS-W013277
      4395-87-3

    References

    • Naarden International N.V. Patent: US4459224 A1, 1984 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.87608
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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