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
Intermediates of Liquid Crystals
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
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