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CS-W001157 4
Total: USD 88.00

Methyl 3-iodobenzoate

  • CAS No. 618-91-7

  • Cat. No. CS-W004679
  • Purity≥98%
  • MDL No.MFCD00061093

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

Methyl 3-iodobenzoate|CS-W004679

Structure of 618-91-7

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General Information

  • CAS No. 618-91-7
  • Cat. No. CS-W004679
  • Purity ≥98%
  • MDL No. MFCD00061093
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇IO₂
  • Molecular Weight 262.04
  • Synonym(s) Methyl m-iodobenzoate
  • SMILES O=C(OC)C1=CC=CC(I)=C1

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Iodobenzoic acid|CS-W009273
      618-51-9
    • ~95%
    • In-stock
      Methyl 3-iodobenzoate|CS-W004679
      618-91-7

    References

    • GEORGIA TECH RESEARCH CORPORATION; HE, Xuyang; ZHANG, Yadong; MARDER, Seth; HASKE, Wojciech; KIPPELEN, Bernard Patent: WO2014/11477 A1, 2014 ; Location in patent: Page/Page column 29; 30 ;
  • Route2

    References

    • SmithKline Beecham Corporation Patent: US6037367 A1, 2000 ;
  • Route3
    • null|null
      93-58-3
    • ~95%
    • In-stock
      Methyl 3-iodobenzoate|CS-W004679
      618-91-7

    References

    • Filimonov, Victor D.; Semenischeva, Nadya I.; Krasnokutskaya, Elena A.; Ho, Yun Hwang; Chi, Ki-Whan Synthesis, 2008 , # 3 p. 401 - 404

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H318-H411
Precautionary Statements : P273-P280-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0778
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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