CAS No.179923-32-1,2,3,4,5-TETRAFLUOROBENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	179923-32-1
Name:	2,3,4,5-TETRAFLUOROBENZENEBORONIC ACID
Article Data:	3

Formula:	C₆H₃BF₄O₂
Molecular Weight:	193.893
Synonyms:	Boronicacid, (2,3,4,5-tetrafluorophenyl)- (9CI);(2,3,4,5-Tetrafluorophenyl)boronicacid;2,3,4,5-Tetrafluorobenzeneboronic acid;
EINECS:	-0
Density:	1.53 g/cm³
Melting Point:	264-269 °C
Boiling Point:	257.6 °C at 760 mmHg
Flash Point:	109.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	40.46000
LogP:	-0.07720

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Specification

The Boronic acid,B-(2,3,4,5-tetrafluorophenyl)-, with the CAS registry number 179923-32-1, has the systematic name and IUPAC name of (2,3,4,5-tetrafluorophenyl)boronic acid. It belongs to the following product categories: Aryl; Boronic Acids; Boronic Acids and Derivatives. And the molecular formula of the chemical is C₆H₃BF₄O₂.

The characteristics of Boronic acid,B-(2,3,4,5-tetrafluorophenyl)- are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 9.52; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 168.01; (8)ACD/KOC (pH 7.4): 15.13; (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: 109.6 °C; (20)Enthalpy of Vaporization: 52.32 kJ/mol; (21)Boiling Point: 257.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00737 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 protective clothing, 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: Fc1cc(c(F)c(F)c1F)B(O)O
(2)InChI: InChI=1/C6H3BF4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,12-13H
(3)InChIKey: GXGSBMNUHWAXHP-UHFFFAOYAM