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CS-W001157 4
Total: USD 88.00

2-Methyl-3,5-dinitrothiophene

  • CAS No. 78771-28-5

  • Cat. No. CS-0205289
  • Molecule weight188.16
  • Purity≥95%
  • MDL No.MFCD00507023

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

2-Methyl-3,5-dinitrothiophene|CS-0205289

Structure of 78771-28-5

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General Information

  • CAS No. 78771-28-5
  • Cat. No. CS-0205289
  • Purity ≥95%
  • MDL No. MFCD00507023
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄N₂O₄S
  • Molecular Weight 188.16
  • Synonym(s) 5-Methyl-2,4-dinitro-thiophen
  • SMILES O=N(=O)C=1SC(=C(C1)N(=O)=O)C

Synthesis

  • Route1
    • 2-Methyl-5-nitrothiophene|CS-0217375
      42297-94-9
    • ~77%
    • 2-Methyl-3,5-dinitrothiophene|CS-0205289
      78771-28-5

    References

    • Yuquan, Shen; Yuxia, Zhao; Zao, Li; Jianghong, Wang; Ling, Qiu; Shixiong, Liu; Jianfeng, Zhai; Jiayun, Zhou Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 24 p. 3691 - 3695
  • Route2

    References

    • Rinkes Recueil des Travaux Chimiques des Pays-Bas, 1932 , vol. 51, p. 1134,1141
  • Route3
    • 2-Methyl-5-nitrothiophene|CS-0217375
      42297-94-9
    • null|null
      591-09-3
    • ~59%
    • 2-Methyl-3,5-dinitrothiophene|CS-0205289
      78771-28-5

    References

    • Katritzky, Alan R.; Vakulenko, Anatoliy V.; Sivapackiam, Jothilingam; Draghici, Bogdan; Damavarapu, Reddy Synthesis, 2008 , # 5 p. 699 - 706

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   86.28
  • LogP   1.87292
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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