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3-Amino-2-methylbenzonitrile

  • CAS No. 69022-35-1

  • Cat. No. CS-0222873
  • Purity≥97%
  • MDL No.None

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

3-Amino-2-methylbenzonitrile|CS-0222873

Structure of 69022-35-1

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General Information

  • CAS No. 69022-35-1
  • Cat. No. CS-0222873
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight 132.16
  • Synonym(s) 3-amino-2-methyl-benzonitrile
  • SMILES CC1=C(C=CC=C1N)C#N

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; LIU, Chunjian; LIN, James; DELUCCA, George V.; BATT, Douglas G.; LIU, Qingjie Patent: WO2011/159857 A1, 2011 ; Location in patent: Page/Page column 78-79 ; WO 2011/159857 A1
  • Route2

    References

    • Dunkin; Shields Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 1997 , vol. 53, # 2 p. 141 - 150

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 : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.4489
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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