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CS-W001157 4
Total: USD 88.00

3-Nitrocinnamic acid

  • CAS No. 555-68-0

  • Cat. No. CS-W015783
  • Purity≥98%
  • MDL No.None

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

3-Nitrocinnamic acid|CS-W015783

Structure of 555-68-0

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General Information

  • CAS No. 555-68-0
  • Cat. No. CS-W015783
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₄
  • Molecular Weight 193.16
  • Synonym(s) m-Nitrocinnamic acid; 3-Nitrocinnamic acid
  • SMILES O=C(/C=C/C1=CC=CC(N(=O)=O)=C1)O

Synthesis

  • Route1
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      64-19-7
    • ~82%
    • In-stock
      3-Nitrocinnamic acid|CS-W015783
      555-68-0

    References

    • Nechifor, Marioara; Chiriac, Constantin I.; Tanasa, Fulga Revue Roumaine de Chimie, 2013 , vol. 58, # 2-3 p. 161 - 164
  • Route2
    • null|null
      141-82-2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • ~98%
    • In-stock
      3-Nitrocinnamic acid|CS-W015783
      555-68-0

    References

    • Zhu, Lingjian; Lei, Ning; Miao, Zhenyuan; Sheng, Chunquan; Zhuang, Chunlin; Yao, Jianzhong; Zhang, Wannian Chinese Journal of Chemistry, 2012 , vol. 30, # 1 p. 139 - 143
  • Route3
    • null|null
      645-00-1
    • null|null
      79-10-7
    • ~84%
    • In-stock
      3-Nitrocinnamic acid|CS-W015783
      555-68-0

    References

    • Cai, Mingzhong; Huang, Yizheng; Zhao, Hong; Song, Caisheng Journal of Organometallic Chemistry, 2003 , vol. 682, # 1-2 p. 20 - 25

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.6926
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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