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(R)-5-isobutyl-2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate

  • CAS No. 1458681-17-8

  • Cat. No. CS-0512143
  • Purity≥98%
  • MDL No.None

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

(R)-5-isobutyl-2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate|CS-0512143

Structure of 1458681-17-8

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General Information

  • CAS No. 1458681-17-8
  • Cat. No. CS-0512143
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₆BF₄N₃
  • Molecular Weight 371.22
  • Synonym(s) (5R)-5,6-Dihydro-5-isobutyl-2-(2,4,6-trimethylphenyl)-5H-pyrrolo[2,1-c]-1,2,4-triazolium Tetrafluoroborate
  • SMILES CC1=C([N+]2=CN3C(CC[C@@H]3CC(C)C)=N2)C(C)=CC(C)=C1.F[B-](F)(F)F

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   21.7
  • LogP   4.91846
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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