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CS-W001157 4
Total: USD 88.00

4'-Bromo-[1,1'-biphenyl]-4-carbonitrile

  • CAS No. 57774-35-3

  • Cat. No. CS-0132573
  • Purity≥98%
  • MDL No.MFCD05980943

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

4'-Bromo-[1,1'-biphenyl]-4-carbonitrile|CS-0132573

Structure of 57774-35-3

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General Information

  • CAS No. 57774-35-3
  • Cat. No. CS-0132573
  • Purity ≥98%
  • MDL No. MFCD05980943
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈BrN
  • Molecular Weight None
  • Synonym(s) 4'-Bromo-biphenyl-4-carbonitrile
  • SMILES N#CC1=CC=C(C2=CC=C(Br)C=C2)C=C1

Synthesis

  • Route1

    References

    • US2012/319059 A1, ; Page/Page column 26 ;
  • Route2

    References

    • Korea University Research and Business Foundation; Kim, Hwan-Kyu; Song, Bok-Joo; Seo, Kang-Deuk; Kang, Min-Soo; Ju, Myung-Jong; Song, Hae-Min; Choi In-Taek; Kim, Sang-Gyun; Song, Sang-Hyun Patent: EP2711359 A1, 2014 ; Location in patent: Paragraph 0041; 0096; 0097 ;
  • Route3

    References

    • Farahat, Abdelbasset A.; Kumar, Arvind; Say, Martial; Barghash, Alaa El-Din M.; Goda, Fatma E.; Eisa, Hassan M.; Wenzler, Tanja; Brun, Reto; Liu, Yang; Mickelson, Leah; Wilson, W. David; Boykin, David W. Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 2 p. 557 - 566

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.98778
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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