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CS-W001157 4
Total: USD 88.00

3,5-Dichlorobenzoic acid

  • CAS No. 51-36-5

  • Cat. No. CS-D1400
  • Molecule weight191.01
  • Purity≥98%
  • MDL No.MFCD00002494

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

3,5-Dichlorobenzoic acid|CS-D1400

Structure of 51-36-5

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General Information

  • CAS No. 51-36-5
  • Cat. No. CS-D1400
  • Purity ≥98%
  • MDL No. MFCD00002494
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄Cl₂O₂
  • Molecular Weight 191.01
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(Cl)=CC(Cl)=C1

Description

3,5-Dichlorobenzoic acid is a sterically hindered, electron-deficient aromatic carboxylic acid featuring two chlorine atoms at the 3 and 5 positions. This configuration enhances its stability and directs electrophilic substitution reactions ortho to the carboxyl group. The compound serves as a key building block in medicinal chemistry and agrochemical synthesis, offering predictable reactivity under standard conditions.

Synthesis

  • Route1
    • null|null
      541-42-4
    • null|null
      118-92-3
    • ~77%
    • In-stock
      3,5-Dichlorobenzoic acid|CS-D1400
      51-36-5

    References

    • BASF Aktiengesellschaft Patent: US4172098 A1, 1979 ;
  • Route2
    • 3,5-Dichloro-4-iodobenzoic acid|CS-0194948
      117757-68-3
    • In-stock
      4-Fluorobenzeneboronic acid|CS-D1103
      1765-93-1
    • ~%
    • In-stock
      3,5-Dichlorobenzoic acid|CS-D1400
      51-36-5
    • null|null
      1350760-11-0

    References

    • MERCK SHARP and DOHME CORP.; DUFFY, Joseph, L.; BAO, Jianming; ONDEYKA, Debra, L.; TYAGARAJAN, Sriram; SHAO, Patrick; YE, Feng; KATIPALLY, Revathi; FINKE, Paul, E.; ZANG, Yi; PLOTKIN, Michael, A.; ROMERO, F. Anthony; MONINGKA, Remond; HUSSAIN, Zahid Patent: WO2011/146324 A1, 2011 ; Location in patent: Page/Page column 73; 74 ; WO 2011/146324 A1
  • Route3

    References

    • BASF Aktiengesellschaft Patent: US4172098 A1, 1979 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6916
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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