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CAS No.: | 352-67-0 |
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Name: | 4-(Trifluoromethoxy)fluorobenzene |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H4 F4 O |
Molecular Weight: | 180.102 |
Synonyms: | Anisole, p,a,a,a-tetrafluoro- (6CI,7CI,8CI);1-Fluoro-4-(trifluoromethoxy)benzene;4-Fluoro(trifluoromethoxy)benzene;4-Fluoro-a,a,a-trifluoroanisole;4-Trifluoromethoxy-1-fluorobenzene;a,a,a,4-Tetrafluoroanisole; |
EINECS: | 206-523-2 |
Density: | 1.343 g/cm3 |
Boiling Point: | 104.5 °C at 760 mmHg |
Flash Point: | 15.6 °C |
Solubility: | Not miscible or difficult to mix in water. |
Appearance: | Colorless liquid |
Hazard Symbols: | F,Xi |
Risk Codes: | 11-36/37/38 |
Safety: | 16-26-36/37/39 |
Transport Information: | UN 1993 3/PG 2 |
PSA: | 9.23000 |
LogP: | 2.72430 |
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The Benzene,1-fluoro-4-(trifluoromethoxy)-, with its cas register number 352-67-0, has its IUPAC name of 1-fluoro-4-(trifluoromethoxy)benzene. Its product categories are including Trifluoroanisole series. This is a kind of colorless liquid.
The physical properties of this chemical could be summarized as: (1)ACD/LogP: 1.56 ; (2)ACD/LogD (pH 5.5): 1.56; (3)ACD/LogD (pH 7.4): 1.56; (4)ACD/BCF (pH 5.5): 9.03; (5)ACD/BCF (pH 7.4): 9.03; (6)ACD/KOC (pH 5.5): 168.13; (7)ACD/KOC (pH 7.4): 168.13; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3; (11)Index of Refraction: 1.362; (12)Molar Refractivity: 31.64 cm3; (13)Molar Volume: 142.3 cm3; (14)Polarizability: 12.54 ×10-24 cm3; (15)Surface Tension: 20.9 dyne/cm; (16)Density: 1.181 g/cm3; (17)Flash Point: 16.7 °C; (18)Enthalpy of Vaporization: 35.39 kJ/mol; (19)Boiling Point: 115.5 °C at 760 mmHg ; (20) Vapour Pressure: 19 mmHg at 25°C.
Use of Benzene,1-fluoro-4-(trifluoromethoxy)-: (1)Benzene,1-fluoro-4-(trifluoromethoxy)- could react to produce C7H3F4NO3 and C7H3F4NO3(isomeride).
This reation occurs in the following condition: reagent: conc. H2SO4, HNO3; reaction temp.: 0 - 5 ℃; field: 75%.
When you are using this chemical, you should be very cautious. Being a kind of highly flammable chemical, it may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Besides, it is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. While contacting, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection and keep away from sources of ignition - No smoking. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. You could also go to WGK Germany 3 to obtain more safety information.
Additionally, you could convert the following datas information into the molecular structure:
Canonical SMILES: C1=CC(=CC=C1OC(F)(F)F)F
InChI: InChI=1S/C7H4F4O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey: JULMJGDXANEQDP-UHFFFAOYSA-N