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CS-W001157 4
Total: USD 88.00

2-Chloro-4-thiocyanatoaniline

  • CAS No. 3226-47-9

  • Cat. No. CS-0450972
  • Molecule weight184.65
  • Purity≥95%
  • MDL No.None

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

2-Chloro-4-thiocyanatoaniline|CS-0450972

Structure of 3226-47-9

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General Information

  • CAS No. 3226-47-9
  • Cat. No. CS-0450972
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂S
  • Molecular Weight 184.65
  • Synonym(s) (4-amino-3-chlorophenyl) thiocyanate
  • SMILES C1=CC(=C(C=C1SC#N)Cl)N

Synthesis

  • Route1
    • null|null
      1147550-11-5
    • null|null
      95-51-2
    • ~88%
    • 2-Chloro-4-thiocyanatoaniline|CS-0450972
      3226-47-9

    References

    • Wu, Liqiang; Chao, Shujun; Wang, Xiao; Yan, Fulin Phosphorus, Sulfur and Silicon and the Related Elements, 2011 , vol. 186, # 2 p. 304 - 310
  • Route2
    • null|null
      333-20-0
    • null|null
      95-51-2
    • ~87%
    • 2-Chloro-4-thiocyanatoaniline|CS-0450972
      3226-47-9

    References

    • Zolfigol, Mohammad Ali; Khazaei, Ardeshir; Mokhlesi, Mohammad; Vahedi, Hoshang; Sajadifar, Sami; Pirveysian, Mahtab Phosphorus, Sulfur and Silicon and the Related Elements, 2012 , vol. 187, # 3 p. 295 - 304
  • Route3

    References

    • Moseley, Jonathan D.; Brown, David; Firkin, Catherine R.; Jenkin, Shelley L.; Patel, Bharti; Snape, Evan W. Organic Process Research and Development, 2008 , vol. 12, # 6 p. 1044 - 1059

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

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   2.49538
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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