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CS-W001157 4
Total: USD 88.00

1-Nitro-4-(phenylethynyl)benzene

  • CAS No. 1942-30-9

  • Cat. No. CS-0336634
  • Purity≥98%
  • MDL No.None

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

1-Nitro-4-(phenylethynyl)benzene|CS-0336634

Structure of 1942-30-9

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General Information

  • CAS No. 1942-30-9
  • Cat. No. CS-0336634
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉NO₂
  • Molecular Weight 223.23
  • Synonym(s) 1-Nitro-4-phenylethynyl-benzene
  • SMILES O=[N+](C1=CC=C(C#CC2=CC=CC=C2)C=C1)[O-]

Synthesis

  • Route1

    References

    • Li, Tingyi; Sun, Peng; Yang, Hailong; Zhu, Yan; Yan, Hong; Lu, Linhua; Mao, Jincheng Tetrahedron, 2012 , vol. 68, # 32 p. 6413 - 6419
  • Route2

    References

    • Nishihara, Yasushi; Inoue, Eiji; Noyori, Shintaro; Ogawa, Daisuke; Okada, Yoshiaki; Iwasaki, Masayuki; Takagi, Kentaro Tetrahedron, 2012 , vol. 68, # 24 p. 4869 - 4881
  • Route3
    • null|null
      636-98-6
    • null|null
      536-74-3
    • ~99%
    • 1-Nitro-4-(phenylethynyl)benzene|CS-0336634
      1942-30-9

    References

    • Li, Jin-Heng; Liang, Yun; Xie, Ye-Xiang Journal of Organic Chemistry, 2005 , vol. 70, # 11 p. 4393 - 4396

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.9946
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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