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CS-W001157 4
Total: USD 88.00

3-Chlorobenzenethiol

  • CAS No. 2037-31-2

  • Cat. No. CS-W014400
  • Purity≥95%
  • MDL No.MFCD00004839

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

3-Chlorobenzenethiol|CS-W014400

Structure of 2037-31-2

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General Information

  • CAS No. 2037-31-2
  • Cat. No. CS-W014400
  • Purity ≥95%
  • MDL No. MFCD00004839
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClS
  • Molecular Weight None
  • Synonym(s) m-Chlorobenzenethiol
  • SMILES SC1=CC=CC(Cl)=C1

Description

3-Chlorobenzenethiol offers a reactive thiol group positioned ortho to a chlorine substituent on the aromatic ring. This configuration enables site-selective functionalization in cross-coupling and conjugation workflows. The molecule exhibits enhanced stability under standard bench conditions and integrates readily into complex molecular architectures requiring sulfur-directed reactivity.

Application

3-Chlorobenzenethiol serves as a versatile building block in synthetic organic chemistry, enabling the construction of thioether-linked heterocycles and functionalized aryl scaffolds. Its ortho-chloro substituent provides enhanced electrophilicity for subsequent cross-coupling reactions, while the thiol group offers reliable conjugation with metal catalysts and nucleophilic reagents. Bench-stable and amenable to standard purification techniques, it facilitates efficient access to complex molecular architectures relevant to medicinal chemistry and materials science.

Synthesis

  • Route1
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    • ~%
    • In-stock
      3-Chlorobenzenethiol|CS-W014400
      2037-31-2

    References

    • Journal of Organic Chemistry, , vol. 26, p. 4047 - 4051
  • Route2
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      2402-00-8
    • ~%
    • In-stock
      3-Chlorobenzenethiol|CS-W014400
      2037-31-2
    • 1,2-Bis(3-chlorophenyl)disulfane|CS-0700420
      19742-92-8

    References

    • European Journal of Inorganic Chemistry, , # 30 p. 4801 - 4810
  • Route3
    • 1,2-Bis(3-chlorophenyl)disulfane|CS-0700420
      19742-92-8
    • ~%
    • In-stock
      3-Chlorobenzenethiol|CS-W014400
      2037-31-2

    References

    • Journal of the American Chemical Society, , vol. 96, # 19 p. 6081 - 6089

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.6287
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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