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CS-W001157 4
Total: USD 88.00

1-Methyl-3-(thiocyanatomethyl)benzene

  • CAS No. 37141-50-7

  • Cat. No. CS-0581402
  • Purity≥98%
  • MDL No.None

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

1-Methyl-3-(thiocyanatomethyl)benzene|CS-0581402

Structure of 37141-50-7

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General Information

  • CAS No. 37141-50-7
  • Cat. No. CS-0581402
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NS
  • Molecular Weight 163.24
  • Synonym(s) 3-Methylbenzyl thiocyanate
  • SMILES CC1=CC(=CC=C1)CSC#N

Synthesis

  • Route1
    • null|null
      620-19-9
    • null|null
      333-20-0
    • ~92%
    • 1-Methyl-3-(thiocyanatomethyl)benzene|CS-0581402
      37141-50-7

    References

    • Kodomari, Mitsuo; Kuzuoka, Tetsuo; Yoshitomi, Suehiko Synthesis, 1983 , # 2 p. 141 - 142
  • Route2

    References

    • Kiasat, Ali Reza; Nazari, Simin Journal of Molecular Catalysis A: Chemical, 2012 , vol. 365, p. 80 - 86
  • Route3
    • null|null
      620-19-9
    • null|null
      1147550-11-5
    • ~84%
    • 1-Methyl-3-(thiocyanatomethyl)benzene|CS-0581402
      37141-50-7

    References

    • Kiasat, Ali Reza; Nazari, Simin Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2013 , vol. 76, # 3-4 p. 363 - 368

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   23.79
  • LogP   2.7093
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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