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CS-W001157 4
Total: USD 88.00

4-(Bromomethyl)-3-fluorobenzonitrile

  • CAS No. 105942-09-4

  • Cat. No. CS-W001261
  • Purity≥97%
  • MDL No.MFCD07368341

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

4-(Bromomethyl)-3-fluorobenzonitrile|CS-W001261

Structure of 105942-09-4

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General Information

  • CAS No. 105942-09-4
  • Cat. No. CS-W001261
  • Purity ≥97%
  • MDL No. MFCD07368341
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrFN
  • Molecular Weight 214.03
  • Synonym(s) 4-Cyano-2-fluorobenzyl Bromide
  • SMILES BrCC1=C(F)C=C(C#N)C=C1

Synthesis

  • Route1

    References

    • Konosu, Toshiyuki; Oida, Sadao; Nakamura, Yoshie; Seki, Shinobu; Uchida, Takuya; Somada, Atsushi; Mori, Makoto; Harada, Yoshiko; Kamai, Yasuki; Harasaki, Tamako; Fukuoka, Takashi; Ohya, Satoshi; Yasuda, Hiroshi; Shibayama, Takahiro; Inoue, Shin-Ichi; Nakagawa, Akihiko; Seta, Yasuo Chemical and Pharmaceutical Bulletin, 2001 , vol. 49, # 12 p. 1647 - 1650
  • Route2
    • In-stock
      3-Fluoro-4-methylbenzonitrile|CS-W002443
      170572-49-3
    • ~50%
    • 4-(Dibromomethyl)-3-fluorobenzonitrile|CS-0530006
      1146699-62-8
    • In-stock
      4-(Bromomethyl)-3-fluorobenzonitrile|CS-W001261
      105942-09-4

    References

    • Bristol-Myers Squibb Company Patent: US2009/111858 A1, 2009 ; Location in patent: Page/Page column 17 ;
  • Route3
    • In-stock
      3-Fluoro-4-methylbenzonitrile|CS-W002443
      170572-49-3
    • null|null
      94-36-0
    • ~40%
    • In-stock
      4-(Bromomethyl)-3-fluorobenzonitrile|CS-W001261
      105942-09-4

    References

    • Corvas International, Inc. Patent: US6586405 B2, 2003 ;

Safety Information

Download SDS
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-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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