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CS-W001157 4
Total: USD 88.00

2-(3-Methoxy-4-nitrophenyl)acetic acid

  • CAS No. 5803-22-5

  • Cat. No. CS-0042610
  • Molecule weight211.17
  • Purity≥98%
  • MDL No.MFCD09997710

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

2-(3-Methoxy-4-nitrophenyl)acetic acid|CS-0042610

Structure of 5803-22-5

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General Information

  • CAS No. 5803-22-5
  • Cat. No. CS-0042610
  • Purity ≥98%
  • MDL No. MFCD09997710
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) (3-METHOXY-4-NITRO-PHENYL)-ACETIC ACID
  • SMILES O=C(O)CC1=CC=C([N+]([O-])=O)C(OC)=C1

Synthesis

  • Route1

    References

    • Choi, Seoung-Ryoung; Pradhan, Anupam; Hammond, Nicholas L.; Chittiboyina, Amar G.; Tekwani, Babu L.; Avery, Mitchell A. Journal of Medicinal Chemistry, 2007 , vol. 50, # 16 p. 3841 - 3850
  • Route2

    References

    • ABBOTT LABORATORIES; ABBOTT LABORATORIES TRADING (SHANGHAI) COMPANY, LTD.; VASUDEVAN, Anil; PENNING, Thomas Dale; CHEN, Huanming; LIANG, Bo; WANG, Shaohui; ZHAO, Zhongqiang; CHAI, Dikun; YANG, Leifu; GAO, Yingxiang Patent: WO2012/97682 A1, 2012 ; Title/Abstract Full Text Show Details ABBOTT LABORATORIES; ABBOTT LABORATORIES TRADING (SHANGHAI) COMPANY, LTD.; VASUDEVAN, Anil; PENNING, Thomas Dale; CHEN, Huanming; LIANG, Bo; WANG, Shaohui; WU, Fengchun; SHEN, Yan; LIU, Cuihua; ZOU, Zhenguang Patent: WO2012/97684 A1, 2012 ; WO 2012/097684 A1

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

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.2305
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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