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CAS No.: | 313545-34-5 |
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Name: | 2-FLUORO-6-(TRIFLUOROMETHYL)PHENYLBORON& |
Molecular Structure: | |
Formula: | C7H5BF4O2 |
Molecular Weight: | 207.92 |
Synonyms: | [2-Fluoro-6-(trifluoromethyl)phenyl]boronic acid;Boronic acid, B-[2-fluoro-6-(trifluoromethyl)phenyl]-; |
Density: | 1.443 g/cm3 |
Melting Point: | 115-119 °C |
Boiling Point: | 267.288 °C at 760 mmHg |
Flash Point: | 115.452 °C |
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The CAS register number of [2-Fluoro-6-(trifluoromethyl)phenyl]boronic acid is 313545-34-5. It also can be called as Boronic acid, B-[2-fluoro-6-(trifluoromethyl)phenyl]- and the systematic name about this chemical is [2-fluoro-6-(trifluoromethyl)phenyl]boronic acid. The molecular formula about this chemical is C7H5BF4O2 and the molecular weight is 207.92. It belongs to the following product categories which include Aryl; Boronic acid; Organoborons; Boronic Acids; Boronic Acids and Derivatives and so on.
Physical properties about [2-Fluoro-6-(trifluoromethyl)phenyl]boronic acid are: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 21; (5)ACD/BCF (pH 7.4): 16; (6)ACD/KOC (pH 5.5): 311; (7)ACD/KOC (pH 7.4): 237; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.46Å2; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 38.391 cm3; (14)Molar Volume: 144.089 cm3; (15)Polarizability: 15.219x10-24cm3; (16)Surface Tension: 31.386 dyne/cm; (17)Enthalpy of Vaporization: 53.382 kJ/mol; (18)Boiling Point: 267.288 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1c(cccc1F)C(F)(F)F
(2)InChI: InChI=1/C7H5BF4O2/c9-5-3-1-2-4(7(10,11)12)6(5)8(13)14/h1-3,13-14H
(3)InChIKey: TXBRJTKFAYXKMV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H5BF4O2/c9-5-3-1-2-4(7(10,11)12)6(5)8(13)14/h1-3,13-14H
(5)Std. InChIKey: TXBRJTKFAYXKMV-UHFFFAOYSA-N