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| CAS No.: | 99627-05-1 |
|---|---|
| Name: | 3,4,5-Trifluorophenol |
| Molecular Structure: | |
|
|
|
| Formula: | C6H3F3O |
| Molecular Weight: | 148.084 |
| Synonyms: | TFBOH;3,4,5-Trifluoro phenol;2-Fluoro-4-bromophenol; |
| EINECS: | 436-160-7 |
| Density: | 1.473 g/cm3 |
| Melting Point: | 52-55 °C |
| Boiling Point: | 199.7 °C at 760 mmHg |
| Flash Point: | 86.3 °C |
| Solubility: | 104g/L at 20℃ |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 C, N, Xi
|
| Risk Codes: | 22-34-51/53-36/37/38 |
| Safety: | 26-36/37/39-45-60-36 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 20.23000 |
| LogP: | 1.80950 |
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Chemistry
IUPAC Name: 3,4,5-trifluorophenol
Molecular Formula: C6H3F3O
Molecular Weight: 148.08g/mol
EINECS: 436-160-7
Structure of 3,4,5-Trifluorophenol (CAS NO.99627-05-1):
Index of Refraction: 1.471
Molar Refractivity: 28.11 cm3
Molar Volume: 100.4 cm3
Polarizability: 11.14×10-24cm3
Surface Tension: 34.5 dyne/cm
Density: 1.473 g/cm3
Flash Point: 86.3 °C
Enthalpy of Vaporization: 45.37 kJ/mol
Melting point: 52-55 ºC
Boiling Point: 199.7 °C at 760 mmHg
Vapour Pressure: 0.238 mmHg at 25°C
Physical Appearance: white to light yellow crystal powder
Product Categories: HALIDE;blocks;FluoroCompounds;Aromatic Phenols;Phenol&Thiophenol&Mercaptan;Fluorophenols;Organic Building Blocks;Oxygen Compounds;Phenols;phenol series
Canonical SMILES: C1=C(C=C(C(=C1F)F)F)O
InChI: InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey: ZRTWIJKGTUGZJY-UHFFFAOYSA-N
Uses
Intermediates of Liquid Crystals
Safety Profile
Hazard Codes: 
C,
N,
Xi
Risk Statements: 22-34-51/53-36/37/38
R22:Harmful if swallowed.
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45-60-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste.
S36:Wear suitable protective clothing.
RIDADR: UN 3261 8/PG 2
WGK Germany: 2
Hazard Note: Irritant
HazardClass: 3
PackingGroup: III