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CAS No.: | 163517-62-2 |
---|---|
Name: | 5-Fluoro-2-methylphenylboronic acid |
Molecular Structure: | |
Formula: | C7H8BFO2 |
Molecular Weight: | 153.949 |
Synonyms: | Boronicacid, (5-fluoro-2-methylphenyl)- (9CI);2-Methyl-5-fluorophenylboronic acid;5-Fluoro-2-methylbenzeneboronic acid; |
EINECS: | -0 |
Density: | 1.2 g/cm3 |
Melting Point: | 144-148 °C(lit.) |
Boiling Point: | 287.7 °C at 760 mmHg |
Flash Point: | 127.8 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-27 |
PSA: | 40.46000 |
LogP: | -0.18610 |
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The CAS register number of 5-Fluoro-2-methylphenylboronic acid is 163517-62-2. It also can be called as Boronic acid, B-(5-fluoro-2-methylphenyl)- and the IUPAC name about this chemical is (5-fluoro-2-methylphenyl)boronic acid. The molecular formula about this chemical is C7H8BFO2 and the molecular weight is 153.95. It belongs to the following product categories, such as Halide; blocks; BoronicAcids; FluoroCompounds; Boronic Acid; Aryl; Fluorinated; Organoborons; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids 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. When you are using it, please avoid heat, flame and light.
Physical properties about 5-Fluoro-2-methylphenylboronic acid are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 23.08; (5)ACD/BCF (pH 7.4): 13.93; (6)ACD/KOC (pH 5.5): 328.35; (7)ACD/KOC (pH 7.4): 198.26; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 38.02 cm3; (14)Molar Volume: 128 cm3; (15)Polarizability: 15.07x10-24cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Enthalpy of Vaporization: 55.65 kJ/mol; (18)Boiling Point: 287.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00113 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need take off immediately all contaminated clothing. 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: Fc1ccc(c(B(O)O)c1)C
(2)InChI: InChI=1/C7H8BFO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3
(3)InChIKey: QKOJLMKWBRBZNQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H8BFO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3
(5)Std. InChIKey: QKOJLMKWBRBZNQ-UHFFFAOYSA-N