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5-Bromo-2-fluoro-4-methylphenylboronic acid

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Name

5-Bromo-2-fluoro-4-methylphenylboronic acid

EINECS N/A
CAS No. 957061-14-2 Density 1.65 g/cm3
PSA 40.46000 LogP 0.57640
Solubility N/A Melting Point N/A
Formula C7H7BBrFO2 Boiling Point 332.1 °C at 760 mmHg
Molecular Weight 232.84 Flash Point 154.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 957061-14-2 (5-Bromo-2-fluoro-4-methylphenylboronic acid) Hazard Symbols N/A
Synonyms

5-Bromo-2-fluoro-4-methylphenylboronic acid;

 

5-Bromo-2-fluoro-4-methylphenylboronic acid Specification

The CAS register number of 5-Bromo-2-fluoro-4-methylphenylboronic acid is 957061-14-2. It also can be called as Boronic acid,B-(5-bromo-2-fluoro-4-methylphenyl)- and the systematic name about this chemical is (5-bromo-2-fluoro-4-methyl-phenyl)boronic acid. The molecular formula about this chemical is C7H7BBrFO2 and the molecular weight is 232.84. It belongs to the following product categories, such as Blocks; BoronicAcids; Bromides and so on.

Physical properties about 5-Bromo-2-fluoro-4-methylphenylboronic acid are: (1)ACD/LogP: 2.81; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.6; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 40.46Å2; (8)Index of Refraction: 1.562; (9)Molar Refractivity: 45.74 cm3; (10)Molar Volume: 141 cm3; (11)Polarizability: 18.13x10-24cm3; (12)Surface Tension: 46.5 dyne/cm; (13)Enthalpy of Vaporization: 60.68 kJ/mol; (14)Boiling Point: 332.1 °C at 760 mmHg; (15)Vapour Pressure: 5.94E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(c(cc1F)C)Br)(O)O
(2)InChI: InChI=1/C7H7BBrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3
(3)InChIKey: HTOASIJHHJJWRV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H7BBrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3
(5)Std. InChIKey: HTOASIJHHJJWRV-UHFFFAOYSA-N

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