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Methyl 2-(1H-imidazol-5-yl)acetate hydrochloride

  • CAS No. 51718-80-0

  • Cat. No. CS-0137474
  • Molecule weight176.60
  • Purity≥98%
  • MDL No.MFCD08275082

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

Methyl 2-(1H-imidazol-5-yl)acetate hydrochloride|CS-0137474

Structure of 51718-80-0

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General Information

  • CAS No. 51718-80-0
  • Cat. No. CS-0137474
  • Purity ≥98%
  • MDL No. MFCD08275082
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉ClN₂O₂
  • Molecular Weight 176.60
  • Synonym(s) Methyl 2-(1H-imidazol-4-yl)acetate hydrochloride
  • SMILES O=C(OC)CC1=CN=CN1.[H]Cl

Synthesis

  • Route1

    References

    • Pharmacia and Upjohn Company Patent: US2005/154056 A1, 2005 ; Location in patent: Page/Page column 84-85 ; US 20050154056 A1
  • Route2

    References

    • PFIZER PRODUCTS INC. Patent: WO2007/34277 A1, 2007 ; Location in patent: Page/Page column 56 ;
  • Route3

    References

    • Merck and Co., Inc. Patent: US6358985 B1, 2002 ; US 6358985 B1

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   0.547
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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