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CS-W001157 4
Total: USD 88.00

Methyl 2-formyl-5-nitrobenzoate

  • CAS No. 142314-69-0

  • Cat. No. CS-0542488
  • Purity≥98%
  • MDL No.None

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

Methyl 2-formyl-5-nitrobenzoate|CS-0542488

Structure of 142314-69-0

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General Information

  • CAS No. 142314-69-0
  • Cat. No. CS-0542488
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₅
  • Molecular Weight 209.16
  • Synonym(s) Benzoic acid, 2-formyl-5-nitro-, methyl ester
  • SMILES O=CC1=CC=C([N+]([O-])=O)C=C1C(OC)=O

Synthesis

  • Route1
    • null|null
      198821-81-7
    • ~65%
    • Methyl 2-formyl-5-nitrobenzoate|CS-0542488
      142314-69-0

    References

    • Vertex Pharmaceuticals, Incorporated Patent: US6344465 B1, 2002 ; Location in patent: Page column 32 ;
  • Route2
    • 2-Formyl-5-nitrobenzoic acid|CS-0269258
      7464-91-7
    • null|null
      74-88-4
    • ~%
    • Methyl 2-formyl-5-nitrobenzoate|CS-0542488
      142314-69-0

    References

    • Mirabdolbaghi, Roya; Dudding, Travis Tetrahedron, 2013 , vol. 69, # 15 p. 3287 - 3292
  • Route3
    • 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one|CS-0671829
      77619-93-3
    • null|null
      74-88-4
    • ~92%
    • Methyl 2-formyl-5-nitrobenzoate|CS-0542488
      142314-69-0

    References

    • Mal, Dipakranjan; Jana, Amit; Ray, Sutapa; Bhattacharya, Sourav; Patra, Asit; De, Saroj R. Synthetic Communications, 2008 , vol. 38, # 22 p. 3937 - 3946

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   86.51
  • LogP   1.1939
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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