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CS-W001157 4
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3-(Bromomethyl)-5-fluorobenzonitrile

  • CAS No. 853368-35-1

  • Cat. No. CS-0459037
  • Purity≥98%
  • MDL No.None

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

3-(Bromomethyl)-5-fluorobenzonitrile|CS-0459037

Structure of 853368-35-1

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General Information

  • CAS No. 853368-35-1
  • Cat. No. CS-0459037
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrFN
  • Molecular Weight 214.03
  • Synonym(s) 3-Cyano-5-fluorobenzyl bromide
  • SMILES N#CC1=CC(F)=CC(CBr)=C1

Synthesis

  • Route1

    References

    • MERCK SERONO S.A.; QUATTROPANI, Anna; MONTAGNE, Cyril; SAUER, Wolfgang; CROSIGNANI, Stefano; BOMBRUN, Agnes Patent: WO2010/112461 A1, 2010 ; Location in patent: Page/Page column 70 ;
  • Route2
    • 3-Fluoro-5-(hydroxymethyl)benzonitrile|CS-0308502
      1021871-34-0
    • ~%
    • 3-(Bromomethyl)-5-fluorobenzonitrile|CS-0459037
      853368-35-1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2077262 A1, 2009 ; Location in patent: Page/Page column 72 ;
  • Route3

    References

    • MERCK SERONO S.A.; BOMBRUN, Agnes; QUATTROPANI, Anna; GONZALEZ, Jerome; DORBAIS, Jerome; KNIGHT, Chris; BAKER-GLENN, Charles Patent: WO2012/4287 A1, 2012 ; Location in patent: Page/Page column 74 ; WO 2012/004287 A1

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.59228
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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