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CS-W001157 4
Total: USD 88.00

2-Bromo-1,5-dimethyl-3-nitrobenzene

  • CAS No. 90434-14-3

  • Cat. No. CS-0609086
  • Purity≥98%
  • MDL No.MFCD00509270

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

2-Bromo-1,5-dimethyl-3-nitrobenzene|CS-0609086

Structure of 90434-14-3

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General Information

  • CAS No. 90434-14-3
  • Cat. No. CS-0609086
  • Purity ≥98%
  • MDL No. MFCD00509270
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₂
  • Molecular Weight 230.06
  • Synonym(s) 4-Brom-5-nitro-m-xylol
  • SMILES O=[N+](C1=C(Br)C(C)=CC(C)=C1)[O-]

Synthesis

  • Route1

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED; LAWSON, John David; SABAT, Mark; SMITH, Christopher; WANG, Haixia; CHEN, Young K.; KANOUNI, Toufike Patent: WO2013/148603 A1, 2013 ; Location in patent: Paragraph 0176-0177 ;

Safety Information

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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   2.97414
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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