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CAS No.: | 870779-02-5 |
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Name: | 2,6-Difluoro-3-methoxybenzeneboronic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H7BF2O3 |
Molecular Weight: | 187.939 |
Synonyms: | Boronicacid, (2,6-difluoro-3-methoxyphenyl)- (9CI); |
Density: | 1.35 g/cm3 |
Melting Point: | 112-114 °C |
Boiling Point: | 332.7 °C at 760 mmHg |
Flash Point: | 155 °C |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 49.69000 |
LogP: | -0.34680 |
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The Boronic acid, B-(2, 6-difluoro-3-methoxyphenyl)-, with the CAS registry number of 870779-02-5, it belongs to the product categories of Blocks; BoronicAcids; Aryl; Fluorinated; Organoborons; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids. This chemical's molecular formula is C7H7BF2O3. What's more, its systematic name is called (2, 6-Difluoro-3-methoxyphenyl)boronic acid.
Physical properties about Boronic acid, B-(2, 6-difluoro-3-methoxyphenyl)- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 10.88; (6)ACD/BCF (pH 7.4): 7.25; (7)ACD/KOC (pH 5.5): 191.8; (8)ACD/KOC (pH 7.4): 127.76; (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: 1.485; (14)Molar Refractivity: 39.87 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 15.8×10-24 cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 155 °C; (20)Enthalpy of Vaporization: 60.75 kJ/mol; (21)Boiling Point: 332.7 °C at 760 mmHg; (22)Melting Point: 112-114 °C; (23)Vapour Pressure: 5.69E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes. In addition this chemical may cause inflammation to the skin or other mucous membranes.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(c(F)ccc1OC)B(O)O
(2) InChI: InChI=1/C7H7BF2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
(3) InChIKey: WSRQWTCBDHWVGY-UHFFFAOYAB