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CS-W001157 4
Total: USD 88.00

2-(3,5-Dimethylphenyl)acetonitrile

  • CAS No. 39101-54-7

  • Cat. No. CS-W016363
  • Molecule weight145.21
  • Purity≥95%
  • MDL No.MFCD00060304

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

2-(3,5-Dimethylphenyl)acetonitrile|CS-W016363

Structure of 39101-54-7

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General Information

  • CAS No. 39101-54-7
  • Cat. No. CS-W016363
  • Purity ≥95%
  • MDL No. MFCD00060304
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N
  • Molecular Weight 145.21
  • Synonym(s) (3,5-Dimethylphenyl)acetonitrile; 2-(3,5-Dimethylphenyl)acetonitrile
  • SMILES CC1=CC(CC#N)=CC(C)=C1

Synthesis

  • Route1

    References

    • Wu, Lingyun; Hartwig, John F. Journal of the American Chemical Society, 2005 , vol. 127, # 45 p. 15824 - 15832
  • Route2

    References

    • Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei Angewandte Chemie - International Edition, 2011 , vol. 50, # 19 p. 4470 - 4474
  • Route3

    References

    • van Zanten,B.; Nauta,W. Recueil des Travaux Chimiques des Pays-Bas, 1960 , vol. 79, p. 1211 - 1222

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
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

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.36952
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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