CAS No.149507-26-6,3-Fluoro-4-methoxybenzeneboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	149507-26-6
Name:	3-Fluoro-4-methoxybenzeneboronic acid
Article Data:	7

Formula:	C₇H₈BFO₃
Molecular Weight:	169.948
Synonyms:	Boronicacid, (3-fluoro-4-methoxyphenyl)- (9CI);3-Fluoro-4-methoxyphenylboronic acid;4-Methoxy-3-fluorophenylboronic acid;
Density:	1.26 g/cm³
Melting Point:	206-211 °C(lit.)
Boiling Point:	318.1 °C at 760 mmHg
Flash Point:	146.2 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	49.69000
LogP:	-0.48590

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Specification

This chemical is called Boronic acid, B-(3-fluoro-4-methoxyphenyl)-, and its systematic name is (3-fluoro-4-methoxyphenyl)boronic acid. With the molecular formula of C₇H₈BFO₃, its product categories are Blocks; Substituted Boronic Acids; Aryl; Fluorinated. The CAS registry number of this chemical is 149507-26-6. Additionally, In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Boronic acid, B-(3-fluoro-4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 8.18; (6)ACD/BCF (pH 7.4): 6.15; (7)ACD/KOC (pH 5.5): 156.54; (8)ACD/KOC (pH 7.4): 117.65; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 39.76 cm³; (15)Molar Volume: 134.3 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 59.08 kJ/mol; (21)Boiling Point: 318.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000154 mmHg at 25°C.

Production method of this chemical: The Boronic acid, B-(3-fluoro-4-methoxyphenyl)- could be obtained by the reactant of 4-bromo-2-fluoro-anisole. This reaction needs the reagents of n-butyllithium, tetrahydrofuran, and the solvents of hexane, tetrahydrofuran. The yield is 85.2 %. In addition, this reaction should be taken for 70 minutes.

Uses of this chemical: The Boronic acid, B-(3-fluoro-4-methoxyphenyl)- could react with 4-bromo-2,6-dichloro-phenol, and obtain the 3,5-dichloro-3'-fluoro-4'-methoxy-biphenyl-4-ol. This reaction needs the reagent of Na₂CO₃, the catalyst of Pd(PPh₃)₄ and the solvent of 1,2-dimethoxy-ethane, water. The yield is 39 %. This reaction needs the temperature 95 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful / irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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(ccc1OC)B(O)O
2.InChI: InChI=1/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
3.InChIKey: IILGLPAJXQMKGQ-UHFFFAOYAQ