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CS-W001157 4
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Methyl 4-(phenylamino)benzoate

  • CAS No. 4058-18-8

  • Cat. No. CS-0511982
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(phenylamino)benzoate|CS-0511982

Structure of 4058-18-8

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General Information

  • CAS No. 4058-18-8
  • Cat. No. CS-0511982
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₂
  • Molecular Weight 227.26
  • Synonym(s) Methyl 4-anilinobenzoate
  • SMILES O=C(OC)C1=CC=C(NC2=CC=CC=C2)C=C1

Synthesis

  • Route1

    References

    • Fairlamb, Ian J. S.; Kapdi, Anant R.; Lee, Adam F.; McGlacken, Gerard P.; Weissburger, Felix; De Vries, Andre H. M.; Schmieder-Van De Vondervoort, Lizette Chemistry - A European Journal, 2006 , vol. 12, # 34 p. 8750 - 8761
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    References

    • Pompeo, Matthew; Farmer, Jennifer L.; Froese, Robert D. J.; Organ, Michael G. Angewandte Chemie - International Edition, 2014 , vol. 53, # 12 p. 3223 - 3226 Angew. Chem., 2014 , vol. 126, # 12 p. 3287 - 3290,4
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    References

    • Griffioen, Gerard; Van Dooren, Tom; Rojas De La Parra, Verónica; Allasia, Sara; Marchand, Arnaud; Kilonda, Amuri; Chaltin, Patrick Patent: US2013/274260 A1, 2013 ; Location in patent: Paragraph 0673-0674 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H303-H315-H319-H335-H413
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   3.2168
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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