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CS-W001157 4
Total: USD 88.00

Methyl 4-chloro-2-nitrobenzoate

  • CAS No. 42087-80-9

  • Cat. No. CS-0150880
  • Purity≥98%
  • MDL No.MFCD00007213

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

Methyl 4-chloro-2-nitrobenzoate|CS-0150880

Structure of 42087-80-9

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General Information

  • CAS No. 42087-80-9
  • Cat. No. CS-0150880
  • Purity ≥98%
  • MDL No. MFCD00007213
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₄
  • Molecular Weight 215.59
  • Synonym(s) 4-Chloro-2-nitrobenzoic Acid Methyl Ester
  • SMILES COC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Synthesis

  • Route1
    • In-stock
      4-Chloro-2-nitrobenzoic acid|CS-W015545
      6280-88-2
    • null|null
      77-78-1
    • ~99%
    • In-stock
      Methyl 4-chloro-2-nitrobenzoate|CS-0150880
      42087-80-9

    References

    • Kondo, Kazumi; Ogawa, Hidenori; Yamashita, Hiroshi; Miyamoto, Hisashi; Tanaka, Michinori; Nakaya, Kenji; Kitano, Kazuyoshi; Yamamura, Yoshitaka; Nakamura, Shigeki; Onogawa, Toshiyuki; Mori, Toyoki; Tominaga, Michiaki Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 8 p. 1743 - 1754
  • Route2
    • null|null
      67-56-1
    • In-stock
      4-Chloro-2-nitrobenzoic acid|CS-W015545
      6280-88-2
    • ~%
    • In-stock
      Methyl 4-chloro-2-nitrobenzoate|CS-0150880
      42087-80-9

    References

    • Hansen, Finn K.; Khankischpur, Mehdi; Tolaymat, Ibrahim; Mesaros, Renata; Dannhardt, Gerd; Geffken, Detlef Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 15 p. 5031 - 5034
  • Route3
    • null|null
      74-88-4
    • ~%
    • In-stock
      Methyl 4-chloro-2-nitrobenzoate|CS-0150880
      42087-80-9

    References

    • Cohen; Mc Candlish Journal of the Chemical Society, 1905 , vol. 87, p. 1271

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   69.44
  • LogP   2.0348
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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