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CS-W001157 4
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5-Bromo-N1-isopropylbenzene-1,2-diamine

  • CAS No. 1038408-35-3

  • Cat. No. CS-0102380
  • Purity≥97%
  • MDL No.None

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

5-Bromo-N1-isopropylbenzene-1,2-diamine|CS-0102380

Structure of 1038408-35-3

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General Information

  • CAS No. 1038408-35-3
  • Cat. No. CS-0102380
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃BrN₂
  • Molecular Weight 229.12
  • Synonym(s) 1,2-BenzenediaMine, 4-broMo-N2-(1-Methylethyl)-
  • SMILES NC1=CC=C(Br)C=C1NC(C)C

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; BOTYANSZKI, Janos; DICKERSON, Scott Howard; LEIVERS, Martin Robert; LI, Xiaofei; MCFADYEN, Robert Blount; REDMAN, Aniko Maria; SHOTWELL, John Bradford; XUE, Jianjun Patent: WO2012/174312 A2, 2012 ; Location in patent: Page/Page column 221-222 ; WO 2012/174312 A2
  • Route2

    References

    • GLAXOSMITHKLINE LLC; BOTYANSZKI, Janos; DICKERSON, Scott Howard; LEIVERS, Martin Robert; LI, Xiaofei; MCFADYEN, Robert Blount; REDMAN, Aniko Maria; SHOTWELL, John Bradford; XUE, Jianjun Patent: WO2012/174312 A2, 2012 ; WO 2012/174312 A2

Safety Information

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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   38.05
  • LogP   2.8516
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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