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Methyl 3-chloro-2-nitrobenzoate

  • CAS No. 42087-81-0

  • Cat. No. CS-0150893
  • Purity≥98%
  • MDL No.MFCD04038813

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

Methyl 3-chloro-2-nitrobenzoate|CS-0150893

Structure of 42087-81-0

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General Information

  • CAS No. 42087-81-0
  • Cat. No. CS-0150893
  • Purity ≥98%
  • MDL No. MFCD04038813
  • 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, 3-chloro-2-nitro-, methyl ester
  • SMILES COC(=O)C1=C(C(=CC=C1)Cl)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY Patent: WO2008/156656 A2, 2008 ; Location in patent: Page/Page column 44; 181 ;
  • Route2

    References

    • IHARA CHEMICAL INDUSTRY CO., LTD.; Tani, Shinki; Yadomatsu, Nami; Ikumi, Akiko; Hirano, Yuuki; Ido, Takuya Patent: US2014/163256 A1, 2014 ; Location in patent: Paragraph 0163-0164 ;
  • Route3

    References

    • Bristol-Myers Squibb Company Patent: US2007/259850 A1, 2007 ; Location in patent: Page/Page column 98-99 ; US 20070259850 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-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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