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CS-W001157 4
Total: USD 88.00

1-Bromo-4-(tert-butyl)-2-nitrobenzene

  • CAS No. 70729-05-4

  • Cat. No. CS-0531888
  • Purity≥98%
  • MDL No.MFCD11845934

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

1-Bromo-4-(tert-butyl)-2-nitrobenzene|CS-0531888

Structure of 70729-05-4

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General Information

  • CAS No. 70729-05-4
  • Cat. No. CS-0531888
  • Purity ≥98%
  • MDL No. MFCD11845934
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂BrNO₂
  • Molecular Weight 258.11
  • Synonym(s) 1-Brom-4-tert-butyl-2-nitro-benzol
  • SMILES BrC1=CC=C(C(C)(C)C)C=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Wolf, Christian; Liu, Shuanglong; Reinhardt, Brian C. Chemical Communications, 2006 , # 40 p. 4242 - 4244
  • Route2

    References

    • Kiprianow; Shmurowa Zhurnal Obshchei Khimii, 1953 , vol. 23, p. 493,502; engl. Ausg. S. 511, 518 Show Details Berliner; Monack Journal of the American Chemical Society, 1952 , vol. 74, p. 1574,1575

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.6548
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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