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CS-W001157 4
Total: USD 88.00

3-Methylbenzoyl cyanide

  • CAS No. 5955-74-8

  • Cat. No. CS-0317493
  • Purity95+%
  • MDL No.None

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

3-Methylbenzoyl cyanide|CS-0317493

Structure of 5955-74-8

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General Information

  • CAS No. 5955-74-8
  • Cat. No. CS-0317493
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO
  • Molecular Weight 145.16
  • Synonym(s) m-toluyl cyanide
  • SMILES CC1=CC(=CC=C1)C(=O)C#N

Synthesis

  • Route1
    • null|null
      151-50-8
    • null|null
      1711-06-4
    • ~76%
    • 3-Methylbenzoyl cyanide|CS-0317493
      5955-74-8

    References

    • Cao, Yu-Qing; Du, Yun-Fei; Chen, Bao-Hua; Li, Ji-Tai Synthetic Communications, 2004 , vol. 34, # 16 p. 2951 - 2957
  • Route2
    • null|null
      1711-06-4
    • ~81%
    • 3-Methylbenzoyl cyanide|CS-0317493
      5955-74-8

    References

    • Li, Zheng; Shi, Shengyi; Yang, Jingya Synlett, 2006 , # 15 p. 2495 - 2497
  • Route3
    • null|null
      90775-12-5
    • ~76%
    • 3-Methylbenzoyl cyanide|CS-0317493
      5955-74-8

    References

    • Sueda, Takuya; Shoji, Masashi; Nishide, Kiyoharu Tetrahedron Letters, 2008 , vol. 49, # 34 p. 5070 - 5072

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H300-H311+H331-H315-H319-H400
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.7013
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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