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Basic Information
CAS No.: 779331-47-4
Name: 2-Benzyloxy-5-fluorophenylboronic acid
Molecular Structure:
Molecular Structure of 779331-47-4 (2-Benzyloxy-5-fluorophenylboronic acid)
Formula: C13H12BFO3
Molecular Weight: 246.046
Synonyms: Boronicacid, [5-fluoro-2-(phenylmethoxy)phenyl]- (9CI);[2-(Benzyloxy)-5-fluorophenyl]boronic acid;
EINECS: -0
Density: 1.26 g/cm3
Melting Point: 106-114 °C
Boiling Point: 442.6 °C at 760 mmHg
Flash Point: 221.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39-36
PSA: 49.69000
LogP: 1.08450
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Chemistry

Molecular Structure of 2-Benzyloxy-5-fluorophenylboronic acid (CAS NO.779331-47-4):


IUPAC:  [2-(benzyloxy)-5-fluorophenyl]boronic acid 
Molecular Formula: C13H12BFO3
Molecular Weight: 246.04
Product Categories: blocks;BoronicAcids;FluoroCompounds;Boronic acid
Melting Point: 106-114oC
Density: 1.26 g/cm3
Flash Point: 221.5oC
Boiling Point: 442.6oC at 760 mmHg
Index of Refraction: 1.577
Molar Volume: 194.3 cm3
Surface Tension: 47.9 dyne/cm
Enthalpy of Vaporization: 73.79 kJ/mol
Vapour Pressure: 1.29E-08 mmHg at 25oC
SMILES: Fc2ccc(OCc1ccccc1)c(c2)B(O)O 
InChI: InChI=1/C13H12BFO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2 
InChIKey: ULIJNMCAPASXHA-UHFFFAOYAP 

Safety Profile

Safety Information of 2-Benzyloxy-5-fluorophenylboronic acid (CAS NO.779331-47-4):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36:Wear suitable protective clothing.
Hazard Note: Corrosive
HazardClass: IRRITANT

Specification

 2-Benzyloxy-5-fluorophenylboronic acid with cas registry number of 779331-47-4 is also known as [2-(Benzyloxy)-5-fluorophenyl]boronic acid ; Boronic acid, B-[5-fluoro-2-(phenylmethoxy)phenyl]- ; (2-Benzyloxy-5-fluorophenyl)boronic acid ; 2-(Benzyloxy)-5-Fluorophenylboronic Acid . It would emit acrid smoke and irritating fumes when heated to decomposition. It should be stored in a cool, dry place. 2-Benzyloxy-5-fluorophenylboronic acid with cas registry number of 779331-47-4 is used as an intermediate .