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CS-W001157 4
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5-(Bromomethyl)-2-fluorobenzonitrile

  • CAS No. 180302-35-6

  • Cat. No. CS-W003004
  • Molecule weight214.04
  • Purity≥98%
  • MDL No.MFCD03094341

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

5-(Bromomethyl)-2-fluorobenzonitrile|CS-W003004

Structure of 180302-35-6

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General Information

  • CAS No. 180302-35-6
  • Cat. No. CS-W003004
  • Purity ≥98%
  • MDL No. MFCD03094341
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrFN
  • Molecular Weight 214.04
  • Synonym(s) 5-Bromomethyl-2-fluorobenzonitrile
  • SMILES BrCC1=CC(C#N)=C(F)C=C1

Synthesis

  • Route1

    References

    • Cui, Jingrong Jean; Araldi, Gian-Luca; Reiner, John E.; Reddy, Komandla Malla; Kemp, Scott J.; Ho, Jonathan Z.; Siev, Daniel V.; Mamedova, Lala; Gibson, Tony S.; Gaudette, John A.; Minami, Nathaniel K.; Anderson, Susanne M.; Bradbury, Annette E.; Nolan, Thomas G.; Semple Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 20 p. 2925 - 2930
  • Route2

    References

    • Cain, Gary A. Organic Preparations and Procedures International, 2000 , vol. 32, # 1 p. 88 - 91
  • Route3
    • In-stock
      2-Fluoro-5-methylbenzonitrile|CS-W011066
      64113-84-4
    • ~%
    • null|null
      218301-21-4
    • In-stock
      5-(Bromomethyl)-2-fluorobenzonitrile|CS-W003004
      180302-35-6

    References

    • US6339099 B1, ; Page column 93 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302+H312-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P405-P501

Quality Control

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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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