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CS-W001157 4
Total: USD 88.00

1-Nitro-4-(thiocyanatomethyl)benzene

  • CAS No. 13287-49-5

  • Cat. No. CS-0584689
  • Purity≥98%
  • MDL No.None

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

1-Nitro-4-(thiocyanatomethyl)benzene|CS-0584689

Structure of 13287-49-5

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General Information

  • CAS No. 13287-49-5
  • Cat. No. CS-0584689
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂S
  • Molecular Weight 194.21
  • Synonym(s) 4-Nitrobenzyl thiocyanate
  • SMILES O=[N+](C1=CC=C(C=C1)CSC#N)[O-]

Synthesis

  • Route1
    • null|null
      333-20-0
    • null|null
      100-14-1
    • ~82%
    • 1-Nitro-4-(thiocyanatomethyl)benzene|CS-0584689
      13287-49-5

    References

    • Kiasat, Ali Reza; Zarinderakht, Nasrollah; Sayyahi, Soheil Chinese Journal of Chemistry, 2012 , vol. 30, # 3 p. 699 - 702
  • Route2
    • null|null
      1147550-11-5
    • null|null
      100-11-8
    • ~92%
    • 1-Nitro-4-(thiocyanatomethyl)benzene|CS-0584689
      13287-49-5

    References

    • Meshram; Thakur, Pramod B.; Madhu Babu; Bangade, Vikas M. Tetrahedron Letters, 2012 , vol. 53, # 14 p. 1780 - 1785
  • Route3
    • null|null
      100-11-8
    • ~94%
    • 1-Nitro-4-(thiocyanatomethyl)benzene|CS-0584689
      13287-49-5

    References

    • Li, Jing; Cao, Jing-Jing; Wei, Jun-Fa; Shi, Xian-Ying; Zhang, Li-Hui; Feng, Jin-Juan; Chen, Zhan-Guo European Journal of Organic Chemistry, 2011 , # 2 p. 229 - 233

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.30908
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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