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CS-W001157 4
Total: USD 88.00

Methyl 2-(bromomethyl)-4-nitrobenzoate

  • CAS No. 133446-99-8

  • Cat. No. CS-0049201
  • Molecule weight274.07
  • Purity≥96%
  • MDL No.MFCD11505948

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

Methyl 2-(bromomethyl)-4-nitrobenzoate|CS-0049201

Structure of 133446-99-8

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General Information

  • CAS No. 133446-99-8
  • Cat. No. CS-0049201
  • Purity ≥96%
  • MDL No. MFCD11505948
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO₄
  • Molecular Weight 274.07
  • Synonym(s) None
  • SMILES COC(=O)C1=C(CBr)C=C(C=C1)[N+]([O-])=O

Synthesis

  • Route1

    References

    • Shinji, Chihiro; Maeda, Satoko; Imai, Keisuke; Yoshida, Minoru; Hashimoto, Yuichi; Miyachi, Hiroyuki Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 22 p. 7625 - 7651
  • Route2

    References

    • MERCK SHARP and DOHME CORP.; WOOD, Harold, B.; ADAMS, Alan, D.; SZEWCZYK, Jason, W.; ZHANG, Yong; YANG, Meng Patent: WO2011/19538 A1, 2011 ; WO 2011/019538 A1
  • Route3

    References

    • Rosowsky, Andre; Forsch, Ronald A.; Null, Allison; Moran, Richard G. Journal of Medicinal Chemistry, 1999 , vol. 42, # 18 p. 3510 - 3519

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.2763
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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