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2,4,5-Trifluorophenylboronic acid

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Name

2,4,5-Trifluorophenylboronic acid

EINECS N/A
CAS No. 247564-72-3 Density 1.44 g/cm3
PSA 40.46000 LogP -0.21630
Solubility N/A Melting Point 100 °C(lit.)
Formula C6H4BF3O2 Boiling Point 257 °C at 760 mmHg
Molecular Weight 175.903 Flash Point 109.2 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36/37/39-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 247564-72-3 (2,4,5-Trifluorophenylboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronic acid, B-(2,4,5-trifluorophenyl)-;

 

2,4,5-Trifluorophenylboronic acid Specification

The 2,4,5-Trifluorophenylboronic acid is an organic compound with the formula C6H4BF3O2. The systematic name of this chemical is (2,4,5-trifluorophenyl)boronic acid. With the CAS registry number 247564-72-3, it is also named as Boronic acid, B-(2,4,5-trifluorophenyl)-. The product's categories are Boronic Acid; Aryl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids. Besides, it is a white to light yellow crystal powder, which should be stored in a cool closed and well-ventilated place.

Physical properties about 2,4,5-Trifluorophenylboronic acid are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 12.64; (5)ACD/BCF (pH 7.4): 6.26; (6)ACD/KOC (pH 5.5): 213.11; (7)ACD/KOC (pH 7.4): 105.61; (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: 1.465; (13)Molar Refractivity: 33.62 cm3; (14)Molar Volume: 121.5 cm3; (15)Polarizability: 13.33×10-24cm3; (16)Surface Tension: 34 dyne/cm; (17)Density: 1.44 g/cm3; (18)Flash Point: 109.2 °C; (19)Enthalpy of Vaporization: 52.25 kJ/mol; (20)Boiling Point: 257 °C at 760 mmHg; (21)Vapour Pressure: 0.00768 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(B(O)O)c(F)cc1F
(2)InChI: InChI=1/C6H4BF3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
(3)InChIKey: KCHHKNCSISEAAE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H4BF3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
(5)Std. InChIKey: KCHHKNCSISEAAE-UHFFFAOYSA-N

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