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CS-W001157 4
Total: USD 88.00

3-Chloro-4-isopropoxybenzoic acid

  • CAS No. 213598-07-3

  • Cat. No. CS-M0439
  • Purity≥98%
  • MDL No.MFCD08703674

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

3-Chloro-4-isopropoxybenzoic acid|CS-M0439

Structure of 213598-07-3

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General Information

  • CAS No. 213598-07-3
  • Cat. No. CS-M0439
  • Purity ≥98%
  • MDL No. MFCD08703674
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO₃
  • Molecular Weight 214.65
  • Synonym(s) 3-CHLORO-4-ISOPROPOXY-BENZOIC ACID
  • SMILES O=C(O)C1=CC=C(OC(C)C)C(Cl)=C1

Synthesis

  • Route1

    References

    • Bellingham, Richard; Buswell, A. Mark; Choudary, Bernie M.; Gordon, Andrew H.; Moore, Steve O.; Peterson, Matthew; Sasse, Mike; Shamji, Amin; Urquhart, Michael W. J. Organic Process Research and Development, 2010 , vol. 14, # 5 p. 1254 - 1263
  • Route2
    • null|null
      855198-17-3
    • In-stock
      Methyl 3-chloro-4-isopropoxybenzoate|CS-0522332
      213598-06-2
    • ~%
    • In-stock
      3-Chloro-4-isopropoxybenzoic acid|CS-M0439
      213598-07-3

    References

    • WO2008/128951 A1, ; Page/Page column 35 ; WO 2008/128951 A1
  • Route3
    • null|null
      1312008-54-0
    • ~%
    • In-stock
      3-Chloro-4-isopropoxybenzoic acid|CS-M0439
      213598-07-3

    References

    • WO2011/72488 A1, ; Page/Page column 16; 29 ; WO 2011/072488 A1

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   46.53
  • LogP   2.8254
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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