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CS-W001157 4
Total: USD 88.00

Methyl 2-chloro-6-nitrobenzoate

  • CAS No. 80563-87-7

  • Cat. No. CS-0523451
  • Purity≥98%
  • MDL No.MFCD06203843

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

Methyl 2-chloro-6-nitrobenzoate|CS-0523451

Structure of 80563-87-7

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General Information

  • CAS No. 80563-87-7
  • Cat. No. CS-0523451
  • Purity ≥98%
  • MDL No. MFCD06203843
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₄
  • Molecular Weight 215.59
  • Synonym(s) Benzoic acid, 2-chloro-6-nitro-, methyl ester
  • SMILES O=C(OC)C1=C([N+]([O-])=O)C=CC=C1Cl

Synthesis

  • Route1
    • In-stock
      2-Chloro-6-nitrobenzoic acid|CS-0044381
      5344-49-0
    • null|null
      68-12-2
    • ~96%
    • In-stock
      Methyl 2-chloro-6-nitrobenzoate|CS-0523451
      80563-87-7

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2005/99688 A2, 2005 ; Location in patent: Page/Page column 177 ; WO 2005/099688 A2
  • Route2
    • null|null
      67-56-1
    • ~%
    • In-stock
      Methyl 2-chloro-6-nitrobenzoate|CS-0523451
      80563-87-7

    References

    • Goldstein; Preitner Helvetica Chimica Acta, 1944 , vol. 27, p. 612,613
  • Route3
    • null|null
      74-88-4
    • ~%
    • In-stock
      Methyl 2-chloro-6-nitrobenzoate|CS-0523451
      80563-87-7

    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-P330-P362+P364-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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