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CS-W001157 4
Total: USD 88.00

2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone

  • CAS No. 571159-05-2

  • Cat. No. CS-0071817
  • Molecule weight282.17
  • Purity≥97%
  • MDL No.MFCD03986069

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

2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone|CS-0071817

Structure of 571159-05-2

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General Information

  • CAS No. 571159-05-2
  • Cat. No. CS-0071817
  • Purity ≥97%
  • MDL No. MFCD03986069
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃Cl₂NO
  • Molecular Weight 282.17
  • Synonym(s) 2-CHLORO-1-[1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-1-ETHANONE
  • SMILES O=C(CCl)C1=C(C)N(C(C)=C1)C(C=C2)=CC=C2Cl

Synthesis

  • Route1
    • 1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole|CS-0192226
      5044-23-5
    • null|null
      79-04-9
    • ~39%
    • 2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone|CS-0071817
      571159-05-2

    References

    • PRESIDENT AND FELLOWS OF HARVARD COLLEGE; FINLEY, Daniel; KING, Randall, W.; LEE, Byung-Hoon; LEE, Min, Jae; GAHMAN, Timothy, C. Patent: WO2011/94545 A2, 2011 ; Location in patent: Page/Page column 71 ; WO 2011/094545 A1
  • Route2

    References

    • PRESIDENT AND FELLOWS OF HARVARD COLLEGE; FINLEY, Daniel; KING, Randall, W.; LEE, Byung-Hoon; LEE, Min, Jae; GAHMAN, Timothy, C. Patent: WO2011/94545 A2, 2011 ; WO 2011/094545 A1
  • Route3
    • null|null
      106-47-8
    • ~%
    • 2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone|CS-0071817
      571159-05-2

    References

    • PRESIDENT AND FELLOWS OF HARVARD COLLEGE; FINLEY, Daniel; KING, Randall, W.; LEE, Byung-Hoon; LEE, Min, Jae; GAHMAN, Timothy, C. Patent: WO2011/94545 A2, 2011 ; WO 2011/094545 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   22
  • LogP   4.16904
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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