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CS-W001157 4
Total: USD 88.00

2-Methyl-5-nitro-6-chlorophenol

  • CAS No. 39183-20-5

  • Cat. No. CS-0153738
  • Molecule weight187.58
  • Purity≥95%
  • MDL No.None

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

2-Methyl-5-nitro-6-chlorophenol|CS-0153738

Structure of 39183-20-5

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General Information

  • CAS No. 39183-20-5
  • Cat. No. CS-0153738
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₃
  • Molecular Weight 187.58
  • Synonym(s) 2-Methyl-5-nitro-6-chloro phenol
  • SMILES CC1=C(C(=C(C=C1)[N+](=O)[O-])Cl)O

Synthesis

  • Route1

    References

    • Iwanowicz, Edwin J.; Watterson, Scott H.; Guo, Junqing; Pitts, William J.; Murali Dhar; Shen, Zhongqi; Chen, Ping; Gu, Henry H.; Fleener, Catherine A.; Rouleau, Katherine A.; Cheney, Daniel L.; Townsend, Robert M.; Hollenbaugh, Diane L. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 12 p. 2059 - 2063

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   2.26222
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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