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3-(Bromomethyl)benzonitrile

  • CAS No. 28188-41-2

  • Cat. No. CS-0005708
  • Molecule weight196.05
  • Purity≥97%
  • MDL No.MFCD00001809

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

3-(Bromomethyl)benzonitrile|CS-0005708

Structure of 28188-41-2

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General Information

  • CAS No. 28188-41-2
  • Cat. No. CS-0005708
  • Purity ≥97%
  • MDL No. MFCD00001809
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrN
  • Molecular Weight 196.05
  • Synonym(s) α-Bromo-m-tolunitrile; 3-(Bromomethyl)benzonitrile
  • SMILES N#CC1=CC=CC(CBr)=C1

Synthesis

  • Route1

    References

    • Anilkumar, Gopinathan; Nambu, Hisanori; Kita, Yasuyuki Organic Process Research and Development, 2002 , vol. 6, # 2 p. 190 - 191
  • Route2

    References

    • Showa Denko K.K. Patent: US6187945 B1, 2001 ;
  • Route3
    • null|null
      620-22-4
    • ~51%
    • In-stock
      3-(Bromomethyl)benzonitrile|CS-0005708
      28188-41-2

    References

    • Vrana, Jan; Jambor, Roman; Ruzicka, Ales; Holecek, Jaroslav; Dostal, Libor Collection of Czechoslovak Chemical Communications, 2010 , vol. 75, # 10 p. 1041 - 1050

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.45318
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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