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2,3,4,6-Tetrafluorophenylboronic acid

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Name

2,3,4,6-Tetrafluorophenylboronic acid

EINECS N/A
CAS No. 511295-00-4 Density 1.53 g/cm3
PSA 40.46000 LogP -0.07720
Solubility N/A Melting Point 121-123°C
Formula C6H3BF4O2 Boiling Point 244 °C at 760 mmHg
Molecular Weight 193.893 Flash Point 101.4 °C
Transport Information N/A Appearance N/A
Safety 26-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 511295-00-4 (2,3,4,6-TETRAFLUOROBENZENEBORONIC ACID) Hazard Symbols Xi
Synonyms

(2,3,4,6-tetrafluorophenyl)boronic acid;boronic acid, B-(2,3,4,6-tetrafluorophenyl)-;2,3,4,6-tetrafluorobenzeneboronic acid;

Article Data 2

2,3,4,6-Tetrafluorophenylboronic acid Specification

The 2,3,4,6-Tetrafluorophenylboronic acid, with the CAS registry number 511295-00-4, has the systematic name and IUPAC name of (2,3,4,6-tetrafluorophenyl)boronic acid. It belongs to the following product categries: Aryl; Boronic Acids; Boronic Acids and Derivatives. And the molecular formula of the chemical is C6H3BF4O2.

The characteristics of 2,3,4,6-Tetrafluorophenylboronic acid are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 13.38; (6)ACD/BCF (pH 7.4): 5.09; (7)ACD/KOC (pH 5.5): 221.45; (8)ACD/KOC (pH 7.4): 84.23; (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: 1.446; (14)Molar Refractivity: 33.73 cm3; (15)Molar Volume: 126.3 cm3; (16)Polarizability: 13.37×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 101.4 °C; (20)Enthalpy of Vaporization: 50.84 kJ/mol; (21)Boiling Point: 244 °C at 760 mmHg; (22)Vapour Pressure: 0.0166 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(B(O)O)c(F)cc(F)c1F
(2)InChI: InChI=1/C6H3BF4O2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1,12-13H
(3)InChIKey: FYJHKJSCYHAWFW-UHFFFAOYAF

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