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CS-W001157 4
Total: USD 88.00

5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole

  • CAS No. 117661-72-0

  • Cat. No. CS-M1003
  • Molecule weight184.62
  • Purity≥98%
  • MDL No.MFCD18642942

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

5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole|CS-M1003

Structure of 117661-72-0

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General Information

  • CAS No. 117661-72-0
  • Cat. No. CS-M1003
  • Purity ≥98%
  • MDL No. MFCD18642942
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₂
  • Molecular Weight 184.62
  • Synonym(s) 5-chloromethyl-6-methyl benzo(1,3) dioxide
  • SMILES ClCC1=CC2=C(OCO2)C=C1C

Synthesis

  • Route1
    • null|null
      7145-99-5
    • null|null
      50-00-0
    • ~80%
    • In-stock
      5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole|CS-M1003
      117661-72-0

    References

    • Given, Bruce D.; Dixon, Richard A.F. Patent: US2008/85313 A1, 2008 ; Location in patent: Page/Page column 15 ;
  • Route2
    • null|null
      7145-99-5
    • null|null
      60-29-7
    • ~62%
    • In-stock
      5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole|CS-M1003
      117661-72-0

    References

    • Texas Biotechnology Corporation Patent: US6432994 B1, 2002 ; US 6432994 B1
  • Route3
    • null|null
      7145-99-5
    • ~80%
    • In-stock
      5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole|CS-M1003
      117661-72-0

    References

    • Texas Biotechnology Corp. Patent: US6248767 B1, 2001 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

Quality Control

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   2.46252
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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