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CS-W001157 4
Total: USD 88.00

(4-Bromophenyl)(4-nitrophenyl)sulfane

  • CAS No. 21969-12-0

  • Cat. No. CS-0157402
  • Molecule weight310.17
  • Purity≥96%
  • MDL No.MFCD00172327

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

(4-Bromophenyl)(4-nitrophenyl)sulfane|CS-0157402

Structure of 21969-12-0

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General Information

  • CAS No. 21969-12-0
  • Cat. No. CS-0157402
  • Purity ≥96%
  • MDL No. MFCD00172327
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈BrNO₂S
  • Molecular Weight 310.17
  • Synonym(s) 1-[(4-BROMOPHENYL)SULFANYL]-4-NITROBENZENE
  • SMILES C1=C(C=CC(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])Br

Synthesis

  • Route1

    References

    • Jammi, Suribabu; Barua, Priyanka; Rout, Laxmidhar; Saha, Prasenjit; Punniyamurthy, Tharmalingam Tetrahedron Letters, 2008 , vol. 49, # 9 p. 1484 - 1487
  • Route2

    References

    • FORMA THERAPEUTICS, INC.; GENENTECH, INC.; BAIR, Kenneth W.; BAUMEISTER, Timm B.; BUCKMELTER, Alexandre J.; CLODFELTER, Karl H.; HAN, Bingsong; LIN, Jian; REYNOLDS, Dominic J.; SMITH, Chase C.; WANG, Zhongguo; ZHENG, Xiaozhang; YUEN, Po-Wai Patent: WO2012/31196 A1, 2012 ; Location in patent: Page/Page column 237 ; WO 2012/031196 A1
  • Route3
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    • (4-Bromophenyl)(4-nitrophenyl)sulfane|CS-0157402
      21969-12-0

    References

    • Amstutz; Neumoyer Journal of the American Chemical Society, 1947 , vol. 69, p. 1925,1928

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   4.5085
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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