[2-Fluoro-3-(trifluoromethoxy)phenyl]boronic acid supplier

Name
BORONIC ACID, [2-FLUORO-3-(TRIFLUOROMETHOXY)PHENYL]-
EINECS
CAS No. 881402-25-1
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₇H₅BF₄O₃
Boiling Point 274.5 °C at 760 mmHg
Molecular Weight 223.92
Flash Point 120 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [2-fluoro-3-(trifluoromethoxy)phenyl]- Boronic acid;
PSA 49.69000
LogP 0.40410

[2-Fluoro-3-(trifluoromethoxy)phenyl]boronic acid Specification

The [2-Fluoro-3-(trifluoromethoxy)phenyl]boronic acid with the cas registry number of 881402-25-1, its molecular formula is C₇H₅BF₄O₃ and formula weight is 223.92. What's more, its systematic name is called Boronic acid, B-[2-fluoro-3-(trifluoromethoxy)phenyl]-.

Physical properties about this chemical are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 49.29; (6)ACD/BCF (pH 7.4): 18.96; (7)ACD/KOC (pH 5.5): 563.32; (8)ACD/KOC (pH 7.4): 216.73; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 40.13 cm³; (15)Molar Volume: 150.3 cm³; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 1.48 g/cm³; (18)Flash Point: 119.8 °C; (19)Enthalpy of Vaporization: 54.18 kJ/mol; (20)Boiling Point: 274.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00261 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1F)OC(F)(F)F)(O)O;
(2)InChI: InChI=1/C7H5BF4O3/c9-6-4(8(13)14)2-1-3-5(6)15-7(10,11)12/h1-3,13-14H;
(3)InChIKey: YVAHUXRWGTUGJO-UHFFFAOYAV;
(4)Std. InChI: InChI=1S/C7H5BF4O3/c9-6-4(8(13)14)2-1-3-5(6)15-7(10,11)12/h1-3,13-14H;
(5)Std. InChIKey: YVAHUXRWGTUGJO-UHFFFAOYSA-N.

Product Name

BORONIC ACID, [2-FLUORO-3-(TRIFLUOROMETHOXY)PHENYL]-

[2-Fluoro-3-(trifluoromethoxy)phenyl]boronic acid Specification

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