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CAS No.: | 157834-21-4 |
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Name: | 2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORON& |
Molecular Structure: | |
Formula: | C7H5BF4O2 |
Molecular Weight: | 207.918 |
Synonyms: | Boronicacid, [2-fluoro-3-(trifluoromethyl)phenyl]- (9CI);[2-Fluoro-3-(trifluoromethyl)phenyl]boronic acid; |
Density: | 1.44 g/cm3 |
Melting Point: | 56-58 °C(lit.) |
Boiling Point: | 276.5 °C at 760 mmHg |
Flash Point: | 121 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-37/39 |
PSA: | 40.46000 |
LogP: | 0.52430 |
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The Boronic acid,B-[2-fluoro-3-(trifluoromethyl)phenyl]- is an organic compound with the formula C7H5BF4O2. The systematic name of this chemical is [2-Fluoro-3-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 157834-21-4, it is also named as 2-Fluoro-3-(Trifluoromethyl)phenylboronic acid. The product's categories are Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids. Besides, it should be stored in a cool, dry place.
Physical properties about Boronic acid,B-[2-fluoro-3-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 29.04; (5)ACD/BCF (pH 7.4): 13.81; (6)ACD/KOC (pH 5.5): 386.47; (7)ACD/KOC (pH 7.4): 183.77; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 38.39 cm3; (14)Molar Volume: 144 cm3; (15)Polarizability: 15.21×10-24 cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 1.44 g/cm3; (18)Flash Point: 121 °C; (19)Enthalpy of Vaporization: 54.4 kJ/mol; (20)Boiling Point: 276.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0023 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5BF4O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H
(2)InChIKey: PKARAEQMGHJHMY-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C7H5BF4O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H
(4)Std. InChIKey: PKARAEQMGHJHMY-UHFFFAOYSA-N