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CS-W001157 4
Total: USD 88.00

4-Nitro-2-chlorotoluene

  • CAS No. 121-86-8

  • Cat. No. CS-0017966
  • Purity≥98%
  • MDL No.None

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

4-Nitro-2-chlorotoluene|CS-0017966

Structure of 121-86-8

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General Information

  • CAS No. 121-86-8
  • Cat. No. CS-0017966
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₂
  • Molecular Weight 171.58
  • Synonym(s) 2-Chloro-4-nitrotoluene; 3-Chloro-4-methyl-1-nitrobenzene; 3-Chloro-4-methylnitrobenzene; NSC 60111; Toluene, 2-chloro-4-nitro-
  • SMILES O=[N+](C1=CC=C(C)C(Cl)=C1)[O-]

Synthesis

  • Route1
    • null|null
      99-99-0
    • ~98%
    • In-stock
      4-Nitro-2-chlorotoluene|CS-0017966
      121-86-8

    References

    • Journal of the American Chemical Society, , vol. 104, # 17 p. 4680 - 4682
  • Route2
    • null|null
      99-54-7
    • null|null
      16160-46-6
    • ~59%
    • In-stock
      4-Nitro-2-chlorotoluene|CS-0017966
      121-86-8

    References

    • Synthesis, , # 4 p. 571 - 575
  • Route3
    • null|null
      99-99-0
    • ~%
    • In-stock
      4-Nitro-2-chlorotoluene|CS-0017966
      121-86-8
    • In-stock
      1,3-Dichloro-2-methyl-5-nitrobenzene|CS-W006352
      7149-69-1
    • 1,3,4-Trichloro-2-methyl-5-nitrobenzene|CS-0570202
      22548-85-2
    • 1,2,4,5-Tetrachloro-3-methyl-6-nitrobenzene|CS-0658832
      22490-21-7

    References

    • Synthetic Communications, , vol. 23, # 19 p. 2785 - 2795

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3457
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.55662
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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