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CS-W001157 4
Total: USD 88.00

2-Amino-4-chloro-5-methylbenzoic acid

  • CAS No. 155184-81-9

  • Cat. No. CS-M1328
  • Purity≥98%
  • MDL No.MFCD06658301

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

2-Amino-4-chloro-5-methylbenzoic acid|CS-M1328

Structure of 155184-81-9

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General Information

  • CAS No. 155184-81-9
  • Cat. No. CS-M1328
  • Purity ≥98%
  • MDL No. MFCD06658301
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClNO₂
  • Molecular Weight 185.61
  • Synonym(s) 2-AMINO-4-CHLORO-5-METHYL-BENZOIC ACID
  • SMILES O=C(O)C1=C(N)C=C(Cl)C(C)=C1

Synthesis

  • Route1

    References

    • Cancer Research Technology Limited Patent: US6699861 B1, 2004 ; Location in patent: Page column 15 ; US 6699861 B1
  • Route2

    References

    • Forsch, Ronald A.; Wright, Joel E.; Rosowsky, Andre Bioorganic and Medicinal Chemistry, 2002 , vol. 10, # 6 p. 2067 - 2076
  • Route3
    • 2-Acetamido-4-chloro-5-methylbenzoic acid|CS-M1327
      1204312-39-9
    • ~85%
    • 2-Amino-4-chloro-5-methylbenzoic acid|CS-M1328
      155184-81-9

    References

    • Lockman, Jeffrey W.; Murphy, Brett R.; Zigar, Daniel F.; Judd, Weston R.; Slattum, Paul M.; Gao, Zhong-Hua; Ostanin, Kirill; Green, Jeremy; McKinnon, Rena; Terry-Lorenzo, Ryan T.; Fleischer, Tracey C.; Boniface, J. Jay; Shenderovich, Mark; Willardsen, J. Adam Journal of Medicinal Chemistry, 2010 , vol. 53, # 24 p. 8734 - 8746

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   1.92882
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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