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CS-W001157 4
Total: USD 88.00

3-Amino-4-(trifluoromethyl)benzonitrile

  • CAS No. 1220630-83-0

  • Cat. No. CS-W021833
  • Molecule weight186.13
  • Purity≥98%
  • MDL No.None

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

3-Amino-4-(trifluoromethyl)benzonitrile|CS-W021833

Structure of 1220630-83-0

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General Information

  • CAS No. 1220630-83-0
  • Cat. No. CS-W021833
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃N₂
  • Molecular Weight 186.13
  • Synonym(s) 3-Amino-4-(trifluoromethyl)
  • SMILES NC1=C(C=CC(=C1)C#N)C(F)(F)F

Synthesis

  • Route1
    • null|null
      1220630-84-1
    • ~91%
    • In-stock
      3-Amino-4-(trifluoromethyl)benzonitrile|CS-W021833
      1220630-83-0

    References

    • BRISTOL-MYERS SQUIBB COMPANY; FINK, Brian; CHEN, Libing; GAVAI, Ashvinikumar; HE, Liqi; KIM, Soong-Hoon; NATION, Andrew; ZHAO, Yufen; ZHANG, Litai Patent: WO2010/42699 A1, 2010 ; Location in patent: Page/Page column 72 ; WO 2010/042699 A1

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   2.15928
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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