(1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate | CAS No. 105379-24-6

(1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate

Basic Information

CAS Number

105379-24-6

Molecular Formula

C15H21F6N5OP

Molecular Weight

431.32 g/mol

AD

Basic Physical Properties

Melting Point

176 ºC (dec.)

Solubility

acetonitrile: 0.1 g/mL, clear

C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C15H20N5O.F6P/c1-2-8-14-13(7-1)16-17-20(14)21-15(18-9-3-4-10-18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8H,3-6,9-12H2;/q+1;-1

InChIKey

XKTRAGMCMJYRRN-UHFFFAOYSA-N

LogP

4.39710

Complexity

441

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 1-[Di(1-pyrrolidinyl)methylene]-1-benzotriazolium 3-Oxide Hexafluorophosphate
  • AKOS004900875
  • SY019122
  • 1-(((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)(pyrrolidin-1-yl)methylene)pyrrolidin-1-ium hexafluorophosphate(V)
  • HBPyU
  • AS-17658
  • 1-[1-pyrrolidin-1-iumylidene(1-pyrrolidinyl)methoxy]benzotriazole hexafluorophosphate
  • FT-0652742
  • 105379-24-6
  • AKOS027320360
  • 1305334-25-1
  • W-200738
  • BCP9000026
  • (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate
  • HBPYU, O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate
  • MFCD00191770
  • o-(1h-benzotriazol-1-yl)-n,n,n',n'-bis(tetramethylene)uronium hexafluorophosphate
  • O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, >=98.0%
  • O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate
  • AM83828
  • (1H-Benzo[d][1,2,3]triazol-1-yl)(di(pyrrolidin-1-yl)methylene)oxonium hexafluorophosphate(V)
  • 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole hexafluorophosphate
  • DTXSID90546720
  • AKOS024370899
  • B4805
  • XKTRAGMCMJYRRN-UHFFFAOYSA-N
  • AC-24871
  • SCHEMBL19898986
  • 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate
  • BCP22740
  • 1-(((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)(pyrrolidin-1-yl)methylene)pyrrolidin-1-iumhexafluorophosphate(V)

MDL Number

MFCD00191770

FAQ

What are the physical and chemical properties of (1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate (CAS: 105379-24-6)?

This compound is a crystalline solid with a molecular weight of approximately 489.47 g/mol. It is slightly soluble in common organic solvents like DMF and DMSO. The compound is reactive, especially under basic conditions. It is stable when stored in a dry, cool place away from moisture and heat.

How is (1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate (CAS: 105379-24-6) typically synthesized?

It can be synthesized through the reaction of hexafluorophosphoric anhydride with 1H-benzotriazol-1-ol and di-1-pyrrolidinylmethanol. The reaction is typically carried out in a dry, anhydrous environment to maximize yield and selectivity. The process involves careful control of temperature and solvent to ensure optimal reaction conditions.

What industries use (1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate (CAS: 105379-24-6)?

This compound is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also utilized in the polymer industry for the preparation of functional polymers. Additionally, it has applications in semiconductor fabrication and as a reagent in chemical sensors.

What precautions should be taken when handling (1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate (CAS: 105379-24-6)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated environment or fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.

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