2,3,4,6-Tetrafluorophenylboronic acid supplier

Name
2,3,4,6-TETRAFLUOROBENZENEBORONIC ACID
EINECS
CAS No. 511295-00-4
Article Data2
CAS DataBase
Density 1.53 g/cm³
Solubility
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
Appearance
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
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;
PSA 40.46000
LogP -0.07720

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

Product Name

2,3,4,6-TETRAFLUOROBENZENEBORONIC ACID

2,3,4,6-Tetrafluorophenylboronic acid Specification

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