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CS-W001157 4
Total: USD 88.00

5-(3-Bromophenyl)pentanoic acid

  • CAS No. 857480-35-4

  • Cat. No. CS-0130112
  • Purity≥95%
  • MDL No.MFCD18459232

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

5-(3-Bromophenyl)pentanoic acid|CS-0130112

Structure of 857480-35-4

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General Information

  • CAS No. 857480-35-4
  • Cat. No. CS-0130112
  • Purity ≥95%
  • MDL No. MFCD18459232
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃BrO₂
  • Molecular Weight 257.12
  • Synonym(s) None
  • SMILES O=C(O)CCCCC1=CC=CC(Br)=C1

Synthesis

  • Route1
    • null|null
      870679-57-5
    • ~92%
    • 5-(3-Bromophenyl)pentanoic acid|CS-0130112
      857480-35-4

    References

    • Murineddu, Gabriele; Ruiu, Stefania; Loriga, Giovanni; Manca, Ilaria; Lazzari, Paolo; Reali, Roberta; Pani, Luca; Toma, Lucio; Pinna, Gerard A. Journal of Medicinal Chemistry, 2005 , vol. 48, # 23 p. 7351 - 7362
  • Route2
    • (E)-5-(3-bromophenyl)pent-4-enoic acid|CS-0526440
      1180670-58-9
    • ~98%
    • 5-(3-Bromophenyl)pentanoic acid|CS-0130112
      857480-35-4

    References

    • BRISTOL-MYERS SQUIBB COMPANY; ROMINE, Jeffrey Lee Patent: WO2012/18325 A1, 2012 ; Location in patent: Page/Page column 139 ; WO 2012/018325 A1
  • Route3

    References

    • Murineddu, Gabriele; Ruiu, Stefania; Loriga, Giovanni; Manca, Ilaria; Lazzari, Paolo; Reali, Roberta; Pani, Luca; Toma, Lucio; Pinna, Gerard A. Journal of Medicinal Chemistry, 2005 , vol. 48, # 23 p. 7351 - 7362

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.2465
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   5

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