1. Introduction of 4-Chlorobenzotrifluoride
4-Chlorobenzotrifluoride is also called (p-Chlorophenyl)trifluoromethane; 1-(Trifluoromethyl)-4-chlorobenzene; 1-Chloro-4-(trifluoromethyl)benzene; 4-Chloro-alpha,alpha,alpha-trifluorotoluene; Benzene, 1-chloro-4-(trifluoromethyl)-; Toluene, p-chloro-alpha,alpha,alpha-trifluoro-; alpha,alpha,alpha-Trifluoro-4-chlorotoluene ; p-(Trifluoromethyl)chlorobenzene; p-Chloro-alpha,alpha,alpha-trifluorotoluene; p-Chlorobenzotrifluoride; para-Chlorotrifluoromethylbenzene. 4-Chlorobenzotrifluoride is highly flammable and insoluble in water. 4-Chlorobenzotrifluoride is sensitive to heat and light. 4-Chlorobenzotrifluoride reacts vigorously with oxidizing materials such as permanganates and dichromates. 4-Chlorobenzotrifluoride is incompatible with strong bases. 4-Chlorobenzotrifluoride is also incompatible with sodium dimethyl sulfonate.
2. Properties of 4-Chlorobenzotrifluoride
Density: 1.338 g/cm3
Melting Point: -36 °C
Boiling Point: 138.5 °C at 760 mmHg
Flash Point: 47.2 °C
Refractive index: n20/D 1.446(lit.)
Appreance: clear colourless to light yellow liquid
Storage temp.: flammables area
Merck: 14,2126
Molar Volume: 134.8 cm3
Surface Tension: 24.5 dyne/cm
Enthalpy of Vaporization: 36.03 kJ/mol
log P (octanol-water): 3.600
Water Solubility: 84.5 mg/L
Vapor Pressure: 7.63 mm Hg
Henry’s Law Constant: 0.035 atm-m3/mole
Atmospheric OH Rate Constant: 2.40E-13 cm3/molecule-sec
XLogP3: 3.8
H-Bond Acceptor: 3
Exact Mass: 179.995362
MonoIsotopic Mass: 179.995362
Heavy Atom Count: 11
Complexity: 124
3. Structure Descriptors of 4-Chlorobenzotrifluoride
Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)Cl
InChI: InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey: QULYNCCPRWKEMF-UHFFFAOYSA-N
4. Use of 4-Chlorobenzotrifluoride
4-Chlorobenzotrifluoride is used as intermediates of pesticide, medicine and dye. It is also the intermediates of herbicide trifluralin, oxyfluorfen, acifluorfen, fomesafen, fluoroglycofen ether, lactofen, and so on.
Items/Lot#: specification Lot 20130809
Appearance: colorless liquid Conforms
Assay(GC): 99% min. 99.73%
Moisture(Karl Fisher): 150ppm max. 128ppm
Color(apha): 20 apha max. 12apha
Dichlorobenzotrifluoride(GC): 0.2% max. 0.03%
M-chlorobenzotrifluoride(GC): 0.3% max. 0.12%
O-chlorobenzotrifluoride(GC): 0.3% max. 0.12%
PH: 5-6 5.6
Inorganic acidity 3ppm max 1.19ppm
Specific gravity 1.334 1.334

4-Chlorobenzotrifluoride 2.jpg

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Notice: This product is only suitable for laboratory use, or the use of animals. It can not be used directly on the human body

 

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