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CS-W001157 4
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3-(Bromomethyl)-2-chlorobenzoic acid

  • CAS No. 89540-41-0

  • Cat. No. CS-0459308
  • Purity≥98%
  • MDL No.None

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

3-(Bromomethyl)-2-chlorobenzoic acid|CS-0459308

Structure of 89540-41-0

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General Information

  • CAS No. 89540-41-0
  • Cat. No. CS-0459308
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrClO₂
  • Molecular Weight 249.49
  • Synonym(s) 2-chloro-3-bromomethyl-benzoic acid
  • SMILES O=C(O)C1=C(Cl)C(CBr)=CC=C1

Synthesis

  • Route1

    References

    • Alcaraz, Lilian; Bailey, Andrew; Kindon, Nicholas Patent: US2011/53909 A1, 2011 ; Location in patent: Page/Page column 24-25 ;
  • Route2
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      920759-94-0
    • ~%
    • 3-(Bromomethyl)-2-chlorobenzoic acid|CS-0459308
      89540-41-0
    • 2-Chloro-3-(hydroxymethyl)benzoic acid|CS-0835311
      1187238-13-6

    References

    • Chang, Dong-Jo; Yoon, Eun-Young; Lee, Geon-Bong; Kim, Soon-Ok; Kim, Wan-Joo; Kim, Young-Myeong; Jung, Jong-Wha; An, Hongchan; Suh, Young-Ger Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 15 p. 4416 - 4420

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9331
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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