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CS-W001157 4
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2-(3-Mercaptophenyl)acetic acid

  • CAS No. 63271-86-3

  • Cat. No. CS-0454476
  • Molecule weight168.21
  • Purity≥98%
  • MDL No.None

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

2-(3-Mercaptophenyl)acetic acid|CS-0454476

Structure of 63271-86-3

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General Information

  • CAS No. 63271-86-3
  • Cat. No. CS-0454476
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₂S
  • Molecular Weight 168.21
  • Synonym(s) 3-Mercaptophenylacetic Acid,
  • SMILES C1=CC(=CC(=C1)S)CC(=O)O

Synthesis

  • Route1
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      887354-92-9
    • ~%
    • 2-(3-Mercaptophenyl)acetic acid|CS-0454476
      63271-86-3

    References

    • Journal of the American Chemical Society, , vol. 104, # 5 p. 1391 - 1403
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 104, # 5 p. 1391 - 1403
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 104, # 5 p. 1391 - 1403

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6024
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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