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CS-W001157 4
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Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

  • CAS No. 91076-93-6

  • Cat. No. CS-0197498
  • Purity≥98%
  • MDL No.None

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

Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate|CS-0197498

Structure of 91076-93-6

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General Information

  • CAS No. 91076-93-6
  • Cat. No. CS-0197498
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀ClNO₂S
  • Molecular Weight 267.73
  • Synonym(s) Methyl-3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
  • SMILES COC(=O)C1=C(C=C(C2=CC=C(C=C2)Cl)S1)N

Synthesis

  • Route1
    • 3-Chloro-3-(4-chlorophenyl)-2-propenenitrile|CS-0647594
      78583-86-5
    • null|null
      2365-48-2
    • ~%
    • In-stock
      Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate|CS-0197498
      91076-93-6

    References

    • Synthesis, , # 3 p. 275 - 276
  • Route2
    • null|null
      99-91-2
    • null|null
      2365-48-2
    • null|null
      68-12-2
    • ~%
    • In-stock
      Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate|CS-0197498
      91076-93-6

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 24 p. 7095 - 7107
  • Route3
    • null|null
      67-56-1
    • 3-Amino-5-(4-chlorophenyl)thiophene-2-carboxylic acid|CS-0188206
      187949-86-6
    • ~%
    • In-stock
      Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate|CS-0197498
      91076-93-6

    References

    • European Journal of Medicinal Chemistry, , vol. 76, p. 343 - 351

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   3.4373
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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