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CS-W001157 4
Total: USD 88.00

Methyl 3-chloro-2-methylbenzoate

  • CAS No. 99586-84-2

  • Cat. No. CS-0101995
  • Purity≥97%
  • MDL No.MFCD00230148

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

Methyl 3-chloro-2-methylbenzoate|CS-0101995

Structure of 99586-84-2

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General Information

  • CAS No. 99586-84-2
  • Cat. No. CS-0101995
  • Purity ≥97%
  • MDL No. MFCD00230148
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₂
  • Molecular Weight 184.62
  • Synonym(s) Benzoic acid, 3-chloro-2-methyl-, methyl ester
  • SMILES O=C(OC)C1=CC=CC(Cl)=C1C

Synthesis

  • Route1
    • In-stock
      3-Chloro-2-methylbenzoic acid|CS-W002261
      7499-08-3
    • null|null
      74-88-4
    • ~97%
    • In-stock
      Methyl 3-chloro-2-methylbenzoate|CS-0101995
      99586-84-2

    References

    • EISAI RandD MANAGEMENT CO., LTD.; YOSHIDA, Ichiro; OKABE, Tadashi; MATSUMOTO, Yasunobu; WATANABE, Nobuhisa; ONIZAWA, Yuji; OHASHI, Yoshiaki; HARADA, Hitoshi Patent: US2013/65925 A1, 2013 ; Location in patent: Paragraph 0336; 0337 ; US 20130065925 A1
  • Route2
    • In-stock
      3-Chloro-2-methylbenzoic acid|CS-W002261
      7499-08-3
    • null|null
      67-56-1
    • ~96%
    • In-stock
      Methyl 3-chloro-2-methylbenzoate|CS-0101995
      99586-84-2

    References

    • X-CEPTOR THERAPEUTICS, INC.; SANKYO COMPANY, LIMITED Patent: WO2004/58717 A1, 2004 ; Location in patent: Page 77 ; WO 2004/058717 A1
  • Route3

    References

    • SmithKline Beecham Corporation Patent: US5958968 A1, 1999 ; US 5958968 A

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   26.3
  • LogP   2.43502
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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