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CS-W001157 4
Total: USD 88.00

3-Oxo-3-(o-tolyl)propanenitrile

  • CAS No. 35276-81-4

  • Cat. No. CS-0163760
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD02260802

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

3-Oxo-3-(o-tolyl)propanenitrile|CS-0163760

Structure of 35276-81-4

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General Information

  • CAS No. 35276-81-4
  • Cat. No. CS-0163760
  • Purity ≥97%
  • MDL No. MFCD02260802
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight None
  • Synonym(s) 2-Methylbenzoylacetonitrile
  • SMILES N#CCC(C1=CC=CC=C1C)=O

Synthesis

  • Route1
    • In-stock
      Methyl 2-methylbenzoate|CS-W018154
      89-71-4
    • null|null
      75-05-8
    • ~67%
    • In-stock
      3-Oxo-3-(o-tolyl)propanenitrile|CS-0163760
      35276-81-4

    References

    • Ma, Lichao; Yuan, Liwei; Xu, Changzhu; Li, Guowei; Tao, Minli; Zhang, Wenqin Synthesis (Germany), 2013 , vol. 45, # 1 art. no. SS-2012-H0716-OP, p. 45 - 52
  • Route2

    References

    • Park, Ahbyeol; Lee, Sunwoo Organic Letters, 2012 , vol. 14, # 4 p. 1118 - 1121
  • Route3
    • In-stock
      2-Methylbenzyl alcohol|CS-0152955
      89-95-2
    • null|null
      75-05-8
    • ~60%
    • In-stock
      3-Oxo-3-(o-tolyl)propanenitrile|CS-0163760
      35276-81-4

    References

    • Shen, Jiaxuan; Yang, Dejun; Liu, Yuxiao; Qin, Shuangshuang; Zhang, Jingwu; Sun, Jiangkai; Liu, Chunhui; Liu, Chaoyang; Zhao, Xiaomei; Chu, Changhu; Liu, Renhua Organic Letters, 2014 , vol. 16, # 2 p. 350 - 353

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.0914
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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