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CS-W001157 4
Total: USD 88.00

4-Chloro-5-methyl-2-nitrophenol

  • CAS No. 7147-89-9

  • Cat. No. CS-0079878
  • Molecule weight187.58
  • Purity≥98%
  • MDL No.MFCD00007114

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

4-Chloro-5-methyl-2-nitrophenol|CS-0079878

Structure of 7147-89-9

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General Information

  • CAS No. 7147-89-9
  • Cat. No. CS-0079878
  • Purity ≥98%
  • MDL No. MFCD00007114
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₃
  • Molecular Weight 187.58
  • Synonym(s) Phenol, 4-chloro-5-methyl-2-nitro-
  • SMILES OC1=CC(C)=C(Cl)C=C1[N+]([O-])=O

Description

4-Chloro-3-methyl-6-nitrophenol was used to evaluate toxicity in Tetrahymena pyriformis by quantitative structure-toxicity relationships-topological substructural molecular design method.

Synthesis

  • Route1
    • null|null
      59-50-7
    • ~58%
    • In-stock
      4-Chloro-5-methyl-2-nitrophenol|CS-0079878
      7147-89-9

    References

    • Ghorbani-Choghamarani, Arash; Goudarziafshar, Hamid; Nikoorazm, Mohsen; Yousefi, Somaieh Canadian Journal of Chemistry, 2009 , vol. 87, # 8 p. 1144 - 1147
  • Route2
    • In-stock
      2-Bromo-4-chloro-5-methylphenol|CS-0139903
      112135-31-6
    • ~%
    • In-stock
      4-Chloro-5-methyl-2-nitrophenol|CS-0079878
      7147-89-9
    • null|null
      859822-51-8

    References

    • Journal of the American Chemical Society, , vol. 55, p. 2125,2129
  • Route3
    • null|null
      59-50-7
    • ~%
    • In-stock
      4-Chloro-5-methyl-2-nitrophenol|CS-0079878
      7147-89-9
    • 4-Chloro-3-methyl-2-nitrophenol|CS-1649175
      6815-42-5
    • null|null
      123871-63-6

    References

    • Tetrahedron, , vol. 45, # 5 p. 1299 - 1310

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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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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