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CAS No.: | 1193-03-9 |
---|---|
Name: | 2-FLUOROPHENYLBORONIC ACID |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H6BFO2 |
Molecular Weight: | 187.112 |
Synonyms: | (2-Fluorophenyl)boronic acid; |
Density: | 1.24 g/cm3 |
Melting Point: | 101-110 °C (lit.) |
Boiling Point: | 267.8 °C at 760 mmHg |
Flash Point: | 115.8 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 29.26000 |
LogP: | 1.47950 |
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The Boronic acid, B-(2-fluorophenyl)-, with the CAS registry number of 1193-03-9, is also known as 2-Fluorophenylboronic acid. This chemical's molecular formula is C6H6BFO2 and molecular weight is 139.92. What's more, its systematic name is called (2-Fluorophenyl)boronic acid.
Physical properties about Boronic acid, B-(2-fluorophenyl)- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 10.39; (6)ACD/BCF (pH 7.4): 9.3; (7)ACD/KOC (pH 5.5): 185.8; (8)ACD/KOC (pH 7.4): 166.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.508; (14) Molar Refractivity: 33.4 cm3; (15)Molar Volume: 111.9 cm3; (16)Surface Tension: 38.6 dyne/cm; (17)Density: 1.24 g/cm3; (18)Flash Point: 115.8 °C; (19)Enthalpy of Vaporization: 53.44 kJ/mol; (20)Boiling Point: 267.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00395 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During 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: Fc1ccccc1B(O)O
(2) InChI: InChI=1/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
(3) InChIKey: QCSLIRFWJPOENV-UHFFFAOYAY