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Name |
Boronic acid,B-[3-(2,2,2-trifluoroethoxy)phenyl]- |
EINECS | N/A |
CAS No. | 850593-08-7 | Density | 1.358 g/cm3 |
PSA | 49.69000 | LogP | 0.30750 |
Solubility | N/A | Melting Point |
126-129℃ |
Formula | C8H8BF3O3 | Boiling Point | 306.904 °C at 760 mmHg |
Molecular Weight | 219.956 | Flash Point | 139.411 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37 | Risk Codes | 36-43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [3-(2,2,2-trifluoroethoxy)phenyl]- (9CI);(3-(2,2,2-Trifluoroethoxy)phenyl)boronic acid;3-(2,2,2-Trifluoroethoxy)benzeneboronicacid; |
The Boronic acid,B-[3-(2,2,2-trifluoroethoxy)phenyl]-, with the CAS registry number 850593-08-7, is also known as 3-(Trifluoroethoxy)phenylboronicacid. It belongs to the product categories of Blocks; Boronic Acids; Fluoro Compounds. This chemical's molecular formula is C8H8BF3O3 and molecular weight is 219.95. What's more, both its IUPAC name and systematic name are the same which is called [3-(2,2,2-Trifluoroethoxy)phenyl]boronic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.707; (5)ACD/BCF (pH 5.5): 14.461; (6)ACD/BCF (pH 7.4): 10.896; (7)ACD/KOC (pH 5.5): 235.279; (8)ACD/KOC (pH 7.4): 177.272; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 44.652 cm3; (15)Molar Volume: 162.009 cm3; (16)Polarizability: 17.701×10-24 cm3; (17)Surface Tension: 35.022 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 139.411 °C; (20)Enthalpy of Vaporization: 57.806 kJ/mol; (21)Boiling Point: 306.904 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccc(c1)OCC(F)(F)F)(O)O
(2) InChI: InChI=1/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2
(3) InChIKey: SZLRKQKOUYNFDB-UHFFFAOYAO