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CS-W001157 4
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1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile

  • CAS No. 862574-87-6

  • Cat. No. CS-M2544
  • Molecule weight223.18
  • Purity≥97%
  • MDL No.MFCD14155913

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

1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile|CS-M2544

Structure of 862574-87-6

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General Information

  • CAS No. 862574-87-6
  • Cat. No. CS-M2544
  • Purity ≥97%
  • MDL No. MFCD14155913
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇F₂NO₂
  • Molecular Weight 223.18
  • Synonym(s) (2,2-difluoro-1,3-benzodioxol-5-yl)-cyclopropanecarbonitrile
  • SMILES N#CC1(CC1)C2=CC=C3OC(F)(F)OC3=C2

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; KESHAVARZ-SHOKRI, Ali; ZHANG, Beili; ALCACIO, Tim, Edward; LEE, Elaine, Chungmin; ZHANG, Yuegang; KRAWIEC, Mariusz Patent: WO2011/119984 A1, 2011 ; WO 2011/119984 A1
  • Route2

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; KESHAVARZ-SHOKRI, Ali; ZHANG, Beili; ALCACIO, Tim, Edward; LEE, Elaine, Chungmin; ZHANG, Yuegang; KRAWIEC, Mariusz Patent: WO2011/119984 A1, 2011 ; WO 2011/119984 A1
  • Route3

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; KESHAVARZ-SHOKRI, Ali; ZHANG, Beili; ALCACIO, Tim, Edward; LEE, Elaine, Chungmin; ZHANG, Yuegang; KRAWIEC, Mariusz Patent: WO2011/119984 A1, 2011 ; WO 2011/119984 A1

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

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   2.56328
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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