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CS-W001157 4
Total: USD 88.00

4-Amino-3-methyl-2-(trifluoromethyl)benzonitrile

  • CAS No. 573764-86-0

  • Cat. No. CS-0534510
  • Molecule weight200.16
  • Purity≥98%
  • MDL No.None

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

4-Amino-3-methyl-2-(trifluoromethyl)benzonitrile|CS-0534510

Structure of 573764-86-0

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General Information

  • CAS No. 573764-86-0
  • Cat. No. CS-0534510
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃N₂
  • Molecular Weight 200.16
  • Synonym(s) Benzonitrile, 4-amino-3-methyl-2-(trifluoromethyl)- (9CI)
  • SMILES N#CC1=CC=C(C(C)=C1C(F)(F)F)N

Synthesis

  • Route1
    • null|null
      573764-81-5
    • ~87%
    • In-stock
      4-Amino-3-methyl-2-(trifluoromethyl)benzonitrile|CS-0534510
      573764-86-0

    References

    • RADIUS HEALTH, INC.; MILLER, Chris, P. Patent: WO2012/47617 A1, 2012 ; Location in patent: Page/Page column 38-39 ; WO 2012/047617 A1
  • Route2

    References

    • Hamann, Lawrence G.; Manfredi, Mark C.; Sun, Chongqing; Krystek Jr., Stanley R.; Huang, Yanting; Bi, Yingzhi; Augeri, David J.; Wang, Tammy; Zou, Yan; Betebenner, David. A.; Fura, Aberra; Seethala, Ramakrishna; Golla, Rajasree; Kuhns, Joyce E.; Lupisella, John A.; Darienzo, Celia J.; Custer, Laura L.; Price, Jennifer L.; Johnson, James M.; Biller, Scott A.; Zahler, Robert; Ostrowski, Jacek Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 7 p. 1860 - 1864
  • Route3
    • N-Acetyl-2-methyl-3-(trifluoromethyl)aniline|CS-0751728
      546434-38-2
    • ~%
    • In-stock
      4-Amino-3-methyl-2-(trifluoromethyl)benzonitrile|CS-0534510
      573764-86-0

    References

    • Hamann, Lawrence G.; Manfredi, Mark C.; Sun, Chongqing; Krystek Jr., Stanley R.; Huang, Yanting; Bi, Yingzhi; Augeri, David J.; Wang, Tammy; Zou, Yan; Betebenner, David. A.; Fura, Aberra; Seethala, Ramakrishna; Golla, Rajasree; Kuhns, Joyce E.; Lupisella, John A.; Darienzo, Celia J.; Custer, Laura L.; Price, Jennifer L.; Johnson, James M.; Biller, Scott A.; Zahler, Robert; Ostrowski, Jacek Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 7 p. 1860 - 1864

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-H312-H315-H319-H332-H335
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   49.81
  • LogP   2.4677
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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