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CS-W001157 4
Total: USD 88.00

3-Methyl-2-nitrophenylacetic acid

  • CAS No. 18710-86-6

  • Cat. No. CS-0040655
  • Purity≥98%
  • MDL No.MFCD08276006

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

3-Methyl-2-nitrophenylacetic acid|CS-0040655

Structure of 18710-86-6

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General Information

  • CAS No. 18710-86-6
  • Cat. No. CS-0040655
  • Purity ≥98%
  • MDL No. MFCD08276006
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 2-nitro-3-Methyl-benzeneacetic acid
  • SMILES O=C(O)CC1=CC=CC(C)=C1[N+]([O-])=O

Synthesis

  • Route1
    • 2-(3-Methyl-2-nitrophenyl)acetonitrile|CS-0279452
      91192-25-5
    • ~70%
    • In-stock
      3-Methyl-2-nitrophenylacetic acid|CS-0040655
      18710-86-6

    References

    • WARNER-LAMBERT COMPANY LLC Patent: WO2004/41793 A1, 2004 ; Location in patent: Page 64 ; WO 2004/041793 A1
  • Route2

    References

    • Kalir, Asher; Mualem, Rivka Synthesis, 1987 , # 5 p. 514 - 515

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.53032
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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