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CS-W001157 4
Total: USD 88.00

Tert-butyl 3-chlorobenzoate

  • CAS No. 16537-17-0

  • Cat. No. CS-0515368
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 3-chlorobenzoate|CS-0515368

Structure of 16537-17-0

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General Information

  • CAS No. 16537-17-0
  • Cat. No. CS-0515368
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClO₂
  • Molecular Weight 212.67
  • Synonym(s) Benzoic acid, 3-chloro-, 1,1-dimethylethyl ester
  • SMILES O=C(OC(C)(C)C)C1=CC=CC(Cl)=C1

Synthesis

  • Route1

    References

    • Arredondo, Juan D.; Li, Hongmei; Balsells, Jaume Organic Syntheses, 2012 , vol. 89, p. 460 - 470
  • Route2

    References

    • Bose, D. Subhas; Satyender, Apuri; Das, A. P. Rudra; Mereyala, Hari Babu Synthesis, 2006 , # 14 p. 2392 - 2396
  • Route3
    • O-(Tert-butyl) 2-methylpropane-2-sulfinothioate|CS-0167743
      31562-40-0
    • ~4%
    • null|null
      31562-41-1
    • null|null
      52754-01-5
    • Tert-butyl 3-chlorobenzoate|CS-0515368
      16537-17-0
    • null|null
      112896-48-7

    References

    • Freeman, Fillmore; Lee, Choonsun Journal of Organic Chemistry, 1988 , vol. 53, # 6 p. 1263 - 1266

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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   26.3
  • LogP   3.2953
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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