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139301-27-2

Basic Information
CAS No.: 139301-27-2
Name: Boronicacid, B-[4-(trifluoromethoxy)phenyl]-
Molecular Structure:
Molecular Structure of 139301-27-2 (Boronicacid, B-[4-(trifluoromethoxy)phenyl]-)
Formula: C7H6BF3O3
Molecular Weight: 205.93
Synonyms: Boronicacid, [4-(trifluoromethoxy)phenyl]- (9CI);4-(Trifluoromethoxy)benzeneboronicacid;[4-[(Trifluoromethyl)oxy]phenyl]boronic acid;p-(Trifluoromethoxy)phenylboronicacid;4-(Trifluoromethoxy)phenylboronic acid;
EINECS: -0
Density: 1.41 g/cm3
Melting Point: 123-127 °C(lit.)
Boiling Point: 256.6 °C at 760 mmHg
Flash Point: 109 °C
Solubility:
Appearance: white to beige crystalline powder
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 37/39-26-36
Transport Information:
PSA: 49.69000
LogP: 0.26500
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  • 4-Trifluoromethoxyphenylboronic acid

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    139301-27-2

    4-Trifluoromethoxyphenylboronic acid

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    4-Trifluoromethoxyphenylboronic acid Chemical Properties Melting point 123-127 °C(lit.) storage temp. 0-6°C form Crystalline Powder color White to beige BRN 8548201 CAS DataBase Reference 139301-27-2(CAS DataBase Reference) Safety

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  • High Purity 4-( Trifluoromethoxy) benzeneboronicacid supplier in China

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    139301-27-2

    High Purity 4-( Trifluoromethoxy) benzeneboronicacid supplier in China

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    Changsha EASCHEM is a leading company in marketing ang distributing chemicals and new materials with establishment in 2013 by reregistering from Easchem International from China. We, EASCHEM, are the brand with the aim for erecting up Big Chemica

    Changsha EASCHEM is a leading company in marketing ang distributing chemicals and new materials with establishment in 2013 by reregistering from Easchem International from China.

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  • Factory Supply 4-(Trifluoromethoxy)Phenylboronic Acid

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    139301-27-2

    Factory Supply 4-(Trifluoromethoxy)Phenylboronic Acid

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    Ality Group, established in 2007, is a comprehensive Chemical Supply Group with Patent Technology as its core. Ality Group operates branches in Hong Kong, Singapore and mainland Ch

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Specification

The CAS register number of 4-Trifluoromethoxyphenylboronic acid is 139301-27-2. It also can be called as Boronic acid, B-[4-(trifluoromethoxy)phenyl]- and the IUPAC name about this chemical is [4-(trifluoromethoxy)phenyl]boronic acid. The molecular formula about this chemical is C7H6BF3O3 and the molecular weight is 205.93. It belongs to the following product categories, such as Blocks; BoronicAcids; FluoroCompounds; Boronic Acid series; Substituted Boronic Acids; Boronic Acid; Aryl; Fluorinated; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Building Blocks for Liquid Crystals; Chalcones, etc. (Building Blocks for Liquid Crystals); Functional Materials; Boronic Acids; Boronic Acids and Derivatives and so on. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place, the storage temperature need keep at 0-6 °C. When you are using it, please avoid contact with oxides.

Physical properties about 4-Trifluoromethoxyphenylboronic acid are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 2.54; (3)ACD/LogD (pH 7.4): 2.49; (4)ACD/BCF (pH 5.5): 50.09; (5)ACD/BCF (pH 7.4): 44.49; (6)ACD/KOC (pH 5.5): 572.89; (7)ACD/KOC (pH 7.4): 508.92; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 27.69Å2; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 40.02 cm3; (14)Molar Volume: 145.6 cm3; (15)Polarizability: 15.86x10-24cm3; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 52.2 kJ/mol; (18)Boiling Point: 256.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00786 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-4-(trifluoromethoxy)benzene. This reaction will need reagent butyllithium, fluorodimethoxyborane diethyl ether, H2O and solvent diethyl ether, hexane, hexane, diethyl ether, hexane, diethyl ether. The reaction time is 45 min with reaction temperature of -75//-75 ℃. The reaction steps is 3. The yield is about 84%.

Uses of 4-Trifluoromethoxyphenylboronic acid: it can be used to produce 4'-trifluoromethoxy-biphenyl-4-ol at temperature of 110 ℃ This reaction is a kind of Suzuki-Miyaura cross-coupling. It will need reagent 1-butyl-3-methylimidazolium, tetrafluoroborate, Na2CO3, TFA, catalyst tetrakis(triphenylphosφne)palladium(0) and solvent dimethylformamide, H2O, CH2Cl2 with reaction time of 2 hour(s)//1 hour(s). The reaction step is 2. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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: FC(F)(F)Oc1ccc(cc1)B(O)O
(2)InChI: InChI=1/C7H6BF3O3/c9-7(10,11)14-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H
(3)InChIKey: HUOFUOCSQCYFPW-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H
(5)Std. InChIKey: HUOFUOCSQCYFPW-UHFFFAOYSA-N