Boronic acid,B-(4-fluoro-3-formylphenyl)- (374538-01-9)

The IUPAC name of 4-Fluoro-3-formylphenylboronic acid is (4-fluoro-3-formylphenyl)boronic acid. With the CAS registry number 374538-01-9, it is also named as 5-Borono-2-fluorobenzaldehyde. The product's categories are boronicacid, aryl, organoborons, boronic acid, boronic acids, boronic acids and derivatives. Besides, its molecular formula is C₇H₆BFO₃ and its molecular weight is 167.93. In addition, this chemical is white powder and air sensitive, which should be stored in closed, cool, ventilated and dry place.

The other characteristics of 4-Fluoro-3-formylphenylboronic acid can be summarized as: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 4.45; (6)ACD/BCF (pH 7.4): 3.43; (7)ACD/KOC (pH 5.5): 101.19; (8)ACD/KOC (pH 7.4): 78.1; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 38.36 cm³; (15)Molar Volume: 125.3 cm³; (16)Polarizability: 15.21×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 161.2 °C; (20)Melting Point: 132-134 °C; (21)Enthalpy of Vaporization: 61.92 kJ/mol; (22)Boiling Point: 342.9 °C at 760 mmHg; (23)Vapour Pressure: 2.8E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 4-Fluoro-3-formylphenylboronic acid is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
SMILES:O=Cc1cc(ccc1F)B(O)O
InChI:InChI=1/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H
InChIKey:YABSTJQEBSKPCG-UHFFFAOYAC
Std. InChI:InChI=1S/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H
Std. InChIKey:YABSTJQEBSKPCG-UHFFFAOYSA-N