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2-Chloropropan-2-yl (4-nitrophenyl) carbonate

  • CAS No. 179419-26-2

  • Cat. No. CS-B1384
  • Molecule weight259.64
  • Purity≥98%
  • MDL No.MFCD27946326

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

2-Chloropropan-2-yl (4-nitrophenyl) carbonate|CS-B1384

Structure of 179419-26-2

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General Information

  • CAS No. 179419-26-2
  • Cat. No. CS-B1384
  • Purity ≥98%
  • MDL No. MFCD27946326
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀ClNO₅
  • Molecular Weight 259.64
  • Synonym(s) Carbonic acid, 1-chloro-1-methylethyl 4-nitrophenyl ester
  • SMILES O=C(OC1=CC=C([N+]([O-])=O)C=C1)OC(C)(Cl)C

Synthesis

  • Route1

    References

    • XenoPort, Inc. Patent: US2006/229361 A1, 2006 ; Location in patent: Page/Page column 40; 41 ;
  • Route2
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    • In-stock
      2-Chloropropan-2-yl (4-nitrophenyl) carbonate|CS-B1384
      179419-26-2

    References

    • Dainippon Sumitomo Pharma Co., Ltd. Patent: EP2447264 A1, 2012 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P264-P270-P271-P280-P304+P340-P330-P331-P363-P501

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   3.0851
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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