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CAS No.: | 159020-59-4 |
---|---|
Name: | 3-FLUORO-5-(TRIFLUOROMETHYL)BENZENE BORONIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H5BF4O2 |
Molecular Weight: | 207.92 |
Synonyms: | Boronicacid, [3-fluoro-5-(trifluoromethyl)phenyl]- (9CI);5-Fluoro-3-trifluoromethylbenzeneboronic acid;[3-Fluoro-5-(trifluoromethyl)phenyl]boronic acid; |
Density: | 1.44 g/cm3 |
Melting Point: | 168°C(lit.) |
Boiling Point: | 264 °C at 760 mmHg |
Flash Point: | 113.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold; |
PSA: | 40.46000 |
LogP: | 0.52430 |
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The Boronic acid,B-[3-fluoro-5-(trifluoromethyl)phenyl]- is an organic compound with the formula C7H5BF4O2. The IUPAC name of this chemical is [3-Fluoro-5-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 159020-59-4, it is also named as 3-(Trifluoromethyl)-5-fluoro-phenylboronic acid. The product's categories are Blocks; BoronicAcids. Besides, it should be stored in a cool place.
Physical properties about Boronic acid,B-[3-fluoro-5-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 19.54; (5)ACD/BCF (pH 7.4): 2.48; (6)ACD/KOC (pH 5.5): 284.64; (7)ACD/KOC (pH 7.4): 36.19; (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: 113.5 °C; (19)Enthalpy of Vaporization: 53.02 kJ/mol; (20)Boiling Point: 264 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
(2)InChIKey: WEMCWZGCSRGJGW-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
(4)Std. InChIKey: WEMCWZGCSRGJGW-UHFFFAOYSA-N