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CS-W001157 4
Total: USD 88.00

(4-Bromo-phenylsulfanyl)-acetic acid

  • CAS No. 3406-76-6

  • Cat. No. CS-0210247
  • Molecule weight247.11
  • Purity≥98%
  • MDL No.MFCD00980675

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

(4-Bromo-phenylsulfanyl)-acetic acid|CS-0210247

Structure of 3406-76-6

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General Information

  • CAS No. 3406-76-6
  • Cat. No. CS-0210247
  • Purity ≥98%
  • MDL No. MFCD00980675
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₂S
  • Molecular Weight 247.11
  • Synonym(s) S-(4-bromophenyl)-mercaptoacetic acid
  • SMILES C1=C(C=CC(=C1)SCC(=O)O)Br

Synthesis

  • Route1

    References

    • Walker,D.; Leib,J. Journal of Organic Chemistry, 1962 , vol. 27, p. 4455 - 4461
  • Route2

    References

    • Okaecwe, Thokozile; Swanepoel, Abraham J.; Petzer, Anel; Bergh, Jacobus J.; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 14 p. 4336 - 4347
  • Route3

    References

    • Baliah,V.; Rathinasamy,T.K. Indian Journal of Chemistry, 1971 , vol. 9, p. 220 - 225 Full Text Show Details Pettit,L.D. et al. Journal of the Chemical Society [Section] B: Physical Organic, 1968 , p. 588 - 590 Full Text Show Details Levkovskaya, G. G.; Kryukova, Yu. I.; Kuznetsova, E. E.; Dolgushina, G. S.; Pushechkina, T. A.; et al. Pharmaceutical Chemistry Journal, 1983 , vol. 17, # 6 p. 404 - 407 Khimiko-Farmatsevticheskii Zhurnal, 1983 , vol. 17, # 6 p. 679 - 683

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6258
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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