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CS-W001157 4
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5-Bromo-2-formylbenzoic acid

  • CAS No. 4785-52-8

  • Cat. No. CS-0029754
  • Purity≥98%
  • MDL No.MFCD06739600

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

5-Bromo-2-formylbenzoic acid|CS-0029754

Structure of 4785-52-8

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General Information

  • CAS No. 4785-52-8
  • Cat. No. CS-0029754
  • Purity ≥98%
  • MDL No. MFCD06739600
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrO₃
  • Molecular Weight 229.03
  • Synonym(s) 5-bromo-ortho-formylbenzoic acid
  • SMILES O=C(O)C1=CC(Br)=CC=C1C=O

Synthesis

  • Route1

    References

    • Abaev, Vladimir T.; Dmitriev, Artem S.; Gutnov, Andrey V.; Podelyakin, Sergey A.; Butin, Alexander V. Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 5 p. 1195 - 1204
  • Route2

    References

    • ABIDE THERAPEUTICS; THE SCRIPPS RESEARCH INSTITUTE; CISAR, Justin, S.; GRICE, Chery, A.; JONES, Todd, K.; NIPHAKIS, Micah, J.; CHANG, Jae, Won; LUM, Kenneth, M.; CRAVATT, Benjamin, F. Patent: WO2013/103973 A1, 2013 ; Location in patent: Paragraph 00393 ;
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    References

    • Abaev, Vladimir T.; Dmitriev, Artem S.; Gutnov, Andrey V.; Podelyakin, Sergey A.; Butin, Alexander V. Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 5 p. 1195 - 1204

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H226-H315+H320
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362+P364-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.9598
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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