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2,5-Difluorophenylboronic acid

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Name

2,5-Difluorophenylboronic acid

EINECS -0
CAS No. 193353-34-3 Density 1.35 g/cm3
PSA 40.46000 LogP -0.35540
Solubility N/A Melting Point 105-110 °C(lit.)
Formula C6H5BF2O2 Boiling Point 271.3 °C at 760 mmHg
Molecular Weight 157.912 Flash Point 117.9 °C
Transport Information N/A Appearance white to light yellow crystalline powder
Safety 37/39-26-36/37 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 193353-34-3 (2,5-Difluorophenylboronic acid) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

2,5-Difluorobenzeneboronic acid;

 

2,5-Difluorophenylboronic acid Standards and Recommendations

Assay (by Titration): 97-103%
FTIR: To match standard

2,5-Difluorophenylboronic acid Specification

The 2,5-Difluorophenylboronic acid is an organic compound with the formula C6H5BF2O2. The IUPAC name of this chemical is (2,5-difluorophenyl)boronic acid. With the CAS registry number 193353-34-3, it is also named as Boronic acid, B-(2,5-difluorophenyl)-. The product's categories are Halide; Blocks; BoronicAcids; FluoroCompounds; Fluorobenzene; Boronic Acid; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic Acids; Boronic Acids and Derivatives. Besides, it is a white to light yellow crystalline powder, which should be stored in a closed cool and well-ventilated place.

Physical properties about 2,5-Difluorophenylboronic acid are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 12.62; (5)ACD/BCF (pH 7.4): 5.62; (6)ACD/KOC (pH 5.5): 212.67; (7)ACD/KOC (pH 7.4): 94.78; (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: 1.485; (13)Molar Refractivity: 33.51 cm3; (14)Molar Volume: 116.7 cm3; (15)Polarizability: 13.28×10-24cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 117.9 °C; (19)Enthalpy of Vaporization: 53.82 kJ/mol; (20)Boiling Point: 271.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00319 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(F)cc1B(O)O
(2)InChI: InChI=1/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
(3)InChIKey: KTOJGSDLJNUAEP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
(5)Std. InChIKey: KTOJGSDLJNUAEP-UHFFFAOYSA-N

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