3,4,5-Trifluorophenol
CAS No.:
99627-05-1
M. Wt:
148.083
M. Fa:
C6H3F3O
InChI Key:
ZRTWIJKGTUGZJY-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 3,4,5-Trifluorophenol
CAS Number |
99627-05-1 |
|---|---|
EC Number |
436-120-9 |
MDL Number |
MFCD00042427 |
IUPAC Name |
3,4,5-trifluorophenol |
InChI |
InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H |
InChIKey |
ZRTWIJKGTUGZJY-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(C=C(C(=C1F)F)F)O |
UNII |
4ZDN5FRN89 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3,4,5-Trifluorophenol
Acidity coefficient |
8.00±0.23(Predicted) |
|---|---|
Boiling Point |
199.7±35.0 °C at 760 mmHg |
BRN |
8830884 |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
148.013596 |
Flash Point |
86.3±20.4 °C |
Index of Refraction |
1.472 |
LogP |
2.52 |
Melting Point |
52-55 °C |
Molecular Formula |
C6H3F3O |
Molecular Weight |
148.083 |
PSA |
20.23000 |
Solubility |
104g/l OECD Test Guideline 105 |
Storage condition |
Inert atmosphere,Room Temperature |
Vapour Pressure |
0.2±0.4 mmHg at 25°C |
Water Solubility |
104g/L at 20℃ |
Safety Information of 3,4,5-Trifluorophenol
Applications of 3,4,5-Trifluorophenol
3,4,5-Trifluorophenol finds applications in various fields:
- Material Science: It is used in the synthesis of liquid crystals and other advanced materials due to its unique electronic properties.
- Pharmaceuticals: Its biological activity makes it a candidate for drug development.
- Chemical Synthesis: It serves as an intermediate in the preparation of other fluorinated compounds.
Interaction Studies of 3,4,5-Trifluorophenol
Interaction studies involving 3,4,5-trifluorophenol focus on its reactivity with biological molecules and other chemicals. Research indicates that its fluorinated structure enhances its stability and reactivity compared to non-fluorinated analogs. Its interactions can lead to significant changes in biological activity and metabolic pathways in living organisms.
Physical sample testing spectrum (NMR) of 3,4,5-Trifluorophenol
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