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CS-W001157 4
Total: USD 88.00

1,3-Dibromo-5-methyl-2-nitrobenzene

  • CAS No. 78831-78-4

  • Cat. No. CS-0574356
  • Purity≥98%
  • MDL No.None

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

1,3-Dibromo-5-methyl-2-nitrobenzene|CS-0574356

Structure of 78831-78-4

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General Information

  • CAS No. 78831-78-4
  • Cat. No. CS-0574356
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅Br₂NO₂
  • Molecular Weight 294.93
  • Synonym(s) 3,5-Dibromo-4-nitrotoluene
  • SMILES CC1=CC(=C(C(=C1)Br)[N+](=O)[O-])Br

Synthesis

  • Route1
    • null|null
      7116-17-8
    • ~78%
    • 1,3-Dibromo-5-methyl-2-nitrobenzene|CS-0574356
      78831-78-4

    References

    • Yang, Fei; Yan, Liwei; Ma, Kuoyan; Yang, Li; Li, Jihong; Chen, Lijuan; You, Jinsong European Journal of Organic Chemistry, 2006 , # 5 p. 1109 - 1112
  • Route2

    References

    • Bryant, Judi A.; Helgeson, Roger C.; Knobler, Carolyn B.; deGrandpre, Mark P.; Cram, Donald J. Journal of Organic Chemistry, 1990 , vol. 55, # 15 p. 4622 - 4634
  • Route3

    References

    • Blanksma Chem. Zentralbl., 1909 , vol. 80, # II p. 1219

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.42822
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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