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CAS No.: | 247564-73-4 |
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Name: | 2,3,5-Trifluorophenylboronic acid |
Molecular Structure: | |
Formula: | C6H4BF3O2 |
Molecular Weight: | 175.903 |
Synonyms: | Boronicacid, (2,3,5-trifluorophenyl)- (9CI);(2,3,5-Trifluorophenyl)boronic acid;2,3,5-Trifluorobenzeneboronic acid; |
Density: | 1.44 g/cm3 |
Melting Point: | 127-132 °C(lit.) |
Boiling Point: | 269.3 °C at 760 mmHg |
Flash Point: | 116.7 °C |
Appearance: | solid |
PSA: | 40.46000 |
LogP: | -0.21630 |
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The Boronic acid,B-(2,3,5-trifluorophenyl)-, with the CAS registry number 247564-73-4, is also known as 2,3,5-Trifluorobenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boric Acid; Boronic Acid; Boronic Acids and Derivatives. This chemical's molecular formula is C6H4BF3O2 and molecular weight is 175.90. What's more, its systematic name is (2,3,5-trifluorophenyl)boronic acid. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of Boronic acid,B-(2,3,5-trifluorophenyl)- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 10.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 183.99; (8)ACD/KOC (pH 7.4): 14.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 33.62 cm3; (15)Molar Volume: 121.5 cm3; (16)Polarizability: 13.33×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 116.7 °C; (20)Enthalpy of Vaporization: 53.61 kJ/mol; (21)Boiling Point: 269.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0036 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(B(O)O)c(F)c(F)c1
(2)Std. InChI: InChI=1S/C6H4BF3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H
(3)Std. InChIKey: IRMUMGKQAXLGHK-UHFFFAOYSA-N