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Ethyl 3-chlorobenzene-1-carboximidate hydrochloride

  • CAS No. 60612-87-5

  • Cat. No. CS-0122252
  • Purity≥98%
  • MDL No.MFCD12031864

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

Ethyl 3-chlorobenzene-1-carboximidate hydrochloride|CS-0122252

Structure of 60612-87-5

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General Information

  • CAS No. 60612-87-5
  • Cat. No. CS-0122252
  • Purity ≥98%
  • MDL No. MFCD12031864
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁Cl₂NO
  • Molecular Weight 220.10
  • Synonym(s) Ethyl 3-chlorobenzimidate hydrochloride
  • SMILES N=C(C1=CC=CC(Cl)=C1)OCC.[H]Cl

Synthesis

  • Route1

    References

    • PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2006/133242 A2, 2006 ; Location in patent: Page/Page column 38-39 ;
  • Route2

    References

    • Welfide Corporation Patent: US6528514 B1, 2003 ;
  • Route3

    References

    • Li, Ziyuan; Ma, Ling; Xu, Jinyi; Kong, Lingyi; Wu, Xiaoming; Yao, Hequan Chemical Communications, 2012 , vol. 48, # 31 p. 3763 - 3765

Safety Information

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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   33.08
  • LogP   3.12367
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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