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CS-W001157 4
Total: USD 88.00

DIMETHYL 2-(4-NITROPHENYL)MALONATE

  • CAS No. 4033-88-9

  • Cat. No. CS-0061798
  • Purity≥97%
  • MDL No.None

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

DIMETHYL 2-(4-NITROPHENYL)MALONATE|CS-0061798

Structure of 4033-88-9

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General Information

  • CAS No. 4033-88-9
  • Cat. No. CS-0061798
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₆
  • Molecular Weight 253.21
  • Synonym(s) Propanedioic acid, 2-(4-nitrophenyl)-, 1,3-dimethyl ester
  • SMILES COC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

Synthesis

  • Route1

    References

    • GRÜNENTHAL GMBH; FRANK, Robert; CHRISTOPH, Thomas; SCHIENE, Klaus; DE VRY, Jean; DAMANN, Nils; LESCH, Bernhard; BAHRENBERG, Gregor; SAUNDERS, Derek John; STOCKHAUSEN, Hannelore; KIM, Yong-Soo; KIM, Myeong-Seop; LEE, Jeewoo Patent: WO2013/68461 A1, 2013 ; Location in patent: Page/Page column 141 ;
  • Route2
    • null|null
      586-78-7
    • In-stock
      Dimethyl malonate|CS-0019394
      108-59-8
    • ~%
    • In-stock
      DIMETHYL 2-(4-NITROPHENYL)MALONATE|CS-0061798
      4033-88-9

    References

    • SANOFI-AVENTIS Patent: US2009/215728 A1, 2009 ; Location in patent: Page/Page column 76 ; US 20090215728 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   95.74
  • LogP   1.0244
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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