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CS-W001157 4
Total: USD 88.00

3,5-Dimethyl-4-nitrobenzoic acid

  • CAS No. 3095-38-3

  • Cat. No. CS-0206008
  • Purity≥98%
  • MDL No.MFCD00014699

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

3,5-Dimethyl-4-nitrobenzoic acid|CS-0206008

Structure of 3095-38-3

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General Information

  • CAS No. 3095-38-3
  • Cat. No. CS-0206008
  • Purity ≥98%
  • MDL No. MFCD00014699
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 4-NITRO-3,5-DIMETHYL BENZOIC ACID
  • SMILES O=C(O)C=1C=C(C(=C(C1)C)N(=O)=O)C

Synthesis

  • Route1

    References

    • Ieda, Naoya; Nakagawa, Hidehiko; Horinouchi, Taeko; Peng, Tao; Yang, Dan; Tsumoto, Hiroki; Suzuki, Takayoshi; Fukuhara, Kiyoshi; Miyata, Naoki Chemical Communications, 2011 , vol. 47, # 22 p. 6449 - 6451
  • Route2

    References

    • US6455528 B1, ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 47, # 8 p. 1969 - 1986

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.90984
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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