Boronic acid,B-[2-fluoro-3-(trifluoromethyl)phenyl]- supplier

Name
2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORON&
EINECS
CAS No. 157834-21-4
Density 1.44 g/cm³
Solubility Slightly soluble in water.
Melting Point 56-58 °C(lit.)
Formula C₇H₅BF₄O₂
Boiling Point 276.5 °C at 760 mmHg
Molecular Weight 207.918
Flash Point 121 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [2-fluoro-3-(trifluoromethyl)phenyl]- (9CI);[2-Fluoro-3-(trifluoromethyl)phenyl]boronic acid;
PSA 40.46000
LogP 0.52430

Boronic acid,B-[2-fluoro-3-(trifluoromethyl)phenyl]- Specification

The Boronic acid,B-[2-fluoro-3-(trifluoromethyl)phenyl]- is an organic compound with the formula C₇H₅BF₄O₂. The systematic name of this chemical is [2-Fluoro-3-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 157834-21-4, it is also named as 2-Fluoro-3-(Trifluoromethyl)phenylboronic acid. The product's categories are Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids. Besides, it should be stored in a cool, dry place.

Physical properties about Boronic acid,B-[2-fluoro-3-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 29.04; (5)ACD/BCF (pH 7.4): 13.81; (6)ACD/KOC (pH 5.5): 386.47; (7)ACD/KOC (pH 7.4): 183.77; (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: 121 °C; (19)Enthalpy of Vaporization: 54.4 kJ/mol; (20)Boiling Point: 276.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0023 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5BF4O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H
(2)InChIKey: PKARAEQMGHJHMY-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C7H5BF4O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H
(4)Std. InChIKey: PKARAEQMGHJHMY-UHFFFAOYSA-N

Product Name

2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORON&

Boronic acid,B-[2-fluoro-3-(trifluoromethyl)phenyl]- Specification

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