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CS-W001157 4
Total: USD 88.00

tert-Butyl 3-iodobenzoate

  • CAS No. 173406-17-2

  • Cat. No. CS-0102178
  • Purity≥97%
  • MDL No.MFCD18837617

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

tert-Butyl 3-iodobenzoate|CS-0102178

Structure of 173406-17-2

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General Information

  • CAS No. 173406-17-2
  • Cat. No. CS-0102178
  • Purity ≥97%
  • MDL No. MFCD18837617
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃IO₂
  • Molecular Weight 304.12
  • Synonym(s) t-Butyl 3-iodobenzoate
  • SMILES O=C(OC(C)(C)C)C1=CC=CC(I)=C1

Synthesis

  • Route1
    • null|null
      75-65-0
    • In-stock
      3-Iodobenzoic acid|CS-W009273
      618-51-9
    • ~92%
    • In-stock
      tert-Butyl 3-iodobenzoate|CS-0102178
      173406-17-2

    References

    • ALLERGAN, INC.; Hull, III, Clarence E.; Malone, Thomas C. Patent: US2013/237537 A1, 2013 ; Location in patent: Paragraph 0437-0438 ;
  • Route2

    References

    • Pinter, Aron; Haberhauer, Gebhard; Hyla-Kryspin, Isabella; Grimme, Stefan Chemical Communications, 2007 , # 36 p. 3711 - 3713
  • Route3
    • null|null
      115-11-7
    • In-stock
      3-Iodobenzoic acid|CS-W009273
      618-51-9
    • ~%
    • In-stock
      tert-Butyl 3-iodobenzoate|CS-0102178
      173406-17-2

    References

    • Standaert, Robert F.; Park, Seung Bum Journal of Organic Chemistry, 2006 , vol. 71, # 21 p. 7952 - 7966

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.2465
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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