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CS-W001157 4
Total: USD 88.00

Methyl 5-chloro-2-hydroxybenzoate

  • CAS No. 4068-78-4

  • Cat. No. CS-W023093
  • Purity≥98%
  • MDL No.MFCD00016461

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

Methyl 5-chloro-2-hydroxybenzoate|CS-W023093

Structure of 4068-78-4

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General Information

  • CAS No. 4068-78-4
  • Cat. No. CS-W023093
  • Purity ≥98%
  • MDL No. MFCD00016461
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₃
  • Molecular Weight 186.59
  • Synonym(s) Methyl 5-chlorosalicylate
  • SMILES O=C(OC)C1=CC(Cl)=CC=C1O

Description

Methyl 5-chlorosalicylate on iodination yields 3-iodo-5-chlorosalicylate.Methyl 5-chlorosalicylate was used in the synthesis of N-p-methoxyphenylbenzimino-p-chloro-o-carbomethoxyphenyl ether.

Synthesis

  • Route1

    References

    • Erbamont Inc. Patent: EP234872 B1, 1991 ;
  • Route2
    • null|null
      67-56-1
    • In-stock
      5-Chloro-2-hydroxybenzoic acid|CS-W017582
      321-14-2
    • ~92%
    • In-stock
      Methyl 5-chloro-2-hydroxybenzoate|CS-W023093
      4068-78-4

    References

    • PFIZER INC.; AM ENDE, Christopher William; JOHNSON, Douglas Scott; O'DONNELL, Christopher John; PETTERSSON, Martin Youngjin; SUBRAMANYAM, Chakrapani Patent: WO2011/48525 A1, 2011 ; Location in patent: Page/Page column 47 ; WO 2011/048525 A1
  • Route3
    • Methyl salicylate, food grade|CS-0890223
      119-36-8
    • ~57%
    • In-stock
      Methyl 5-chloro-2-hydroxybenzoate|CS-W023093
      4068-78-4

    References

    • Bovonsombat, Pakorn; Ali, Rameez; Khan, Chiraphorn; Leykajarakul, Juthamard; Pla-On, Kawin; Aphimanchindakul, Suraj; Pungcharoenpong, Natchapon; Timsuea, Nisit; Arunrat, Anchalee; Punpongjareorn, Napat Tetrahedron, 2010 , vol. 66, # 34 p. 6928 - 6935

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-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.8322
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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