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CS-W001157 4
Total: USD 88.00

2-Methyl-3-nitrobenzoic acid

  • CAS No. 1975-50-4

  • Cat. No. CS-0030570
  • Purity≥98%
  • MDL No.MFCD00007160

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

2-Methyl-3-nitrobenzoic acid|CS-0030570

Structure of 1975-50-4

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General Information

  • CAS No. 1975-50-4
  • Cat. No. CS-0030570
  • Purity ≥98%
  • MDL No. MFCD00007160
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight None
  • Synonym(s) 3-Nitro-o-toluic Acid
  • SMILES O=C(O)C1=CC=CC([N+]([O-])=O)=C1C

Description

2-Methyl-3-nitrobenzoic acid was used as starting reagent in the synthesis of methyl 2-methyl-3-nitrobenzoate and 2,3-unsubstituted indoles.

Synthesis

  • Route1

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 20, p. 169
  • Route2
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    • In-stock
      2-Methyl-3-nitrobenzoic acid|CS-0030570
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    References

    • Kuethe, Jeffrey T.; Davies, Ian W. Tetrahedron, 2006 , vol. 62, # 49 p. 11381 - 11390
  • Route3

    References

    • Helvetica Chimica Acta, , vol. 31, p. 65,74

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.60142
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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