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CS-W001157 4
Total: USD 88.00

2-Amino-5-methyl-3-nitro-benzoic acid methyl ester

  • CAS No. 1248541-72-1

  • Cat. No. CS-0341977
  • Purity95+%
  • MDL No.None

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

2-Amino-5-methyl-3-nitro-benzoic acid methyl ester|CS-0341977

Structure of 1248541-72-1

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General Information

  • CAS No. 1248541-72-1
  • Cat. No. CS-0341977
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₄
  • Molecular Weight 210.19
  • Synonym(s) Methyl 2-amino-5-methyl-3-nitrobenzoate
  • SMILES CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)OC

Synthesis

  • Route1
    • null|null
      186581-53-3
    • 2-Amino-5-methyl-3-nitrobenzoic acid|CS-0217051
      5465-34-9
    • ~80%
    • 2-Amino-5-methyl-3-nitro-benzoic acid methyl ester|CS-0341977
      1248541-72-1

    References

    • MERCK SERONO S.A.; THUNUGUNTLA, Siva Sanjeeva Rao; SUBRAMANYA, Hosahalli; KUNNAM, Satish Reddy; SANIVARU VIJAY, Sekhar Reddy; BINGI, Chakrapani; KUSANUR, Raviraj; SCHWARZ, Matthias; ARLT, Michael Patent: WO2010/115736 A2, 2010 ; Location in patent: Page/Page column 78-79 ; WO 2010/115736 A2

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   95.46
  • LogP   1.27202
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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