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CS-W001157 4
Total: USD 88.00

(4-Bromophenyl)(propyl)sulfane

  • CAS No. 76542-19-3

  • Cat. No. CS-0362974
  • Purity≥95%
  • MDL No.None

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

(4-Bromophenyl)(propyl)sulfane|CS-0362974

Structure of 76542-19-3

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General Information

  • CAS No. 76542-19-3
  • Cat. No. CS-0362974
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁BrS
  • Molecular Weight 231.15
  • Synonym(s) 1-Bromo-4-propylsulfanylbenzene
  • SMILES CCCSC1=CC=C(C=C1)Br

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2004/9086 A1, 2004 ; Location in patent: Page/Page column 74-75 ; WO 2004/009086 A1
  • Route2
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      107-08-4
    • ~%
    • (4-Bromophenyl)(propyl)sulfane|CS-0362974
      76542-19-3

    References

    • ELI LILLY AND COMPANY Patent: WO2006/19833 A1, 2006 ; Location in patent: Page/Page column 53 ; WO 2006/019833 A1
  • Route3

    References

    • ASTRAZENECA AB; ALBERT, Jeffrey Scott; ALHAMBRA, Cristobal; BRUGEL, Todd Andrew; FORST, Janet; HOLMQUIST, Christopher R; VARNES, Jeffrey Gilbert; WANG, Xia Patent: WO2010/87761 A1, 2010 ; Location in patent: Page/Page column 77 ; WO 2010/087761 A1

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3335
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.9512
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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