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2-Amino-3-chlorobenzenethiol

  • CAS No. 40925-72-2

  • Cat. No. CS-0094243
  • Molecule weight159.64
  • Purity≥97%
  • MDL No.MFCD07783031

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

2-Amino-3-chlorobenzenethiol|CS-0094243

Structure of 40925-72-2

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General Information

  • CAS No. 40925-72-2
  • Cat. No. CS-0094243
  • Purity ≥97%
  • MDL No. MFCD07783031
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆ClNS
  • Molecular Weight 159.64
  • Synonym(s) 2-Amino-3-chlorothiophenol
  • SMILES SC1=CC=CC(Cl)=C1N

Synthesis

  • Route1

    References

    • Inoue, Hirozumi; Konda, Mikihiko; Hashiyama, Tomiki; Otsuka, Hisao; Takahashi, Kaoru; et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 675 - 687
  • Route2
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    • 2-Amino-3-chlorobenzenethiol|CS-0094243
      40925-72-2

    References

    • Ye, Xiaocong Michael; Garofalo, Albert W.; Lawler, Rose D.; Fukuda, Juri Y.; Konradi, Andrei W.; Holcomb, Ryan; Rossiter, Kassandra I.; Wone, David W.G.; Wu, Jing Patent: US2007/32475 A1, 2007 ; Location in patent: Page/Page column 35-36 ; US 20070032475 A1
  • Route3

    References

    • Gupta, R. R.; Ojha, K. G.; Kalwania, G. S.; Kumar, M. Heterocycles, 1980 , vol. 14, # 8 p. 1145 - 1149

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.2109
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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