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CS-W001157 4
Total: USD 88.00

Ethyl 3-(4-chlorophenyl)propanoate

  • CAS No. 7116-36-1

  • Cat. No. CS-M2499
  • Purity≥97%
  • MDL No.MFCD07772956

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

Ethyl 3-(4-chlorophenyl)propanoate|CS-M2499

Structure of 7116-36-1

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General Information

  • CAS No. 7116-36-1
  • Cat. No. CS-M2499
  • Purity ≥97%
  • MDL No. MFCD07772956
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClO₂
  • Molecular Weight 212.68
  • Synonym(s) Ethyl p-chlorohydrocinnamate
  • SMILES O=C(OCC)CCC1=CC=C(C=C1)Cl

Synthesis

  • Route1

    References

    • Nestl, Bettina M.; Glueck, Silvia M.; Hall, Melanie; Kroutil, Wolfgang; Stuermer, Rainer; Hauer, Bernhard; Faber, Kurt European Journal of Organic Chemistry, 2006 , # 20 p. 4573 - 4577
  • Route2
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      3-(4-Chlorophenyl)propanoic acid|CS-W007646
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    • null|null
      105-58-8
    • ~99%
    • In-stock
      Ethyl 3-(4-chlorophenyl)propanoate|CS-M2499
      7116-36-1

    References

    • Zysk, Malgorzata; Zadlo, Anna; Brodzka, Anna; Wisniewska, Catalina; Ostaszewski, Ryszard Journal of Molecular Catalysis B: Enzymatic, 2014 , vol. 102, p. 225 - 229
  • Route3
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      1-Chloro-4-iodobenzene|CS-W007395
      637-87-6
    • null|null
      3054-95-3
    • ~92%
    • In-stock
      Ethyl 3-(4-chlorophenyl)propanoate|CS-M2499
      7116-36-1

    References

    • Battistuzzi, Gianfranco; Cacchi, Sandro; Fabrizi, Giancarlo; Bernini, Roberta Synlett, 2003 , # 8 p. 1133 - 1136

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8357
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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