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CS-W001157 4
Total: USD 88.00

2-(Dimethylamino)-6-fluorobenzonitrile

  • CAS No. 96994-73-9

  • Cat. No. CS-0095275
  • Molecule weight164.18
  • Purity≥97%
  • MDL No.MFCD00052221

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

2-(Dimethylamino)-6-fluorobenzonitrile|CS-0095275

Structure of 96994-73-9

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General Information

  • CAS No. 96994-73-9
  • Cat. No. CS-0095275
  • Purity ≥97%
  • MDL No. MFCD00052221
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FN₂
  • Molecular Weight 164.18
  • Synonym(s) 2-Dimethylamino-6-fluorobenzonitrile
  • SMILES N#CC1=C(F)C=CC=C1N(C)C

Synthesis

  • Route1

    References

    • Chao, Bo; Tong, Xian-Kun; Tang, Wei; Li, De-Wen; He, Pei-Lan; Garcia, Jean-Michel; Zeng, Li-Min; Gao, An-Hui; Yang, Li; Li, Jia; Nan, Fa-Jun; Jacobs, Michael; Altmeyer, Ralf; Zuo, Jian-Ping; Hu, You-Hong Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3135 - 3143
  • Route2

    References

    • Gupton, John T.; Wysong, Ernest; Norman, Bryan; Hertel, George; Idoux, John P. Synthetic Communications, 1985 , vol. 15, p. 43 - 52
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 8 p. 2075 - 2088

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   27.03
  • LogP   1.76338
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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