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Basic Information
CAS No.: 146631-00-7
Name: 4-Benzyloxybenzeneboronic acid
Article Data: 20
Molecular Structure:
Molecular Structure of 146631-00-7 (4-Benzyloxybenzeneboronic acid)
Formula: C13H13BO3
Molecular Weight: 228.055
Synonyms: 4-(benzyloxy)phenylboronic acid;4-Benzyloxyphenyboronic acid;
EINECS: -0
Density: 1.2 g/cm3
Melting Point: 198-200 °C
Boiling Point: 418.9 °C at 760 mmHg
Flash Point: 207.2 °C
Appearance: white crystalline powder
Hazard Symbols: IrritantXiCorrosiveC
Risk Codes: 36/37/38
Safety: 36/37/39-26
PSA: 49.69000
LogP: 0.94540
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    Product Name: 4-Benzyloxybenzeneboronic acid CAS: 146631-00-7 MF: C13H13BO3 MW: 228.05 EINECS: 678-070-2 Mol File: 146631-00-7.mol 4-Benzyloxybenzeneboronic acid Structure 4-Benzyloxybenzeneboronic acid Chemical Properties Melting

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Chemistry

Systematic Name: [4-(Benzyloxy)phenyl]boronic acid
CAS NO: 146631-00-7
Molecular Formula: C13H13BO3
Molecular Weight: 228.05
Molecular Structure:
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.593
Molar Refractivity: 64.36 cm3
Molar Volume: 189.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.2 g/cm3
Flash Point: 207.2 °C
Enthalpy of Vaporization: 70.91 kJ/mol
Boiling Point: 418.9 °C at 760 mmHg
Vapour Pressure: 9.1E-08 mmHg at 25°C
Melting point: 198-200 °C
Appearance: white crystalline powder
Product Categories of 4-Benzyloxyphenylboronic acid (CAS NO.146631-00-7): blocks;BoronicAcids;Boronic acids;Heterocyclic Compounds;Aryl;Boronic acid;Organoborons;B (Classes of Boron Compounds);Boronic Acids;Boronic Acids and Derivatives
SMILES: O(c1ccc(cc1)B(O)O)Cc2ccccc2
InChI: InChI=1/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChIKey: DMJHEIDWSIAXCS-UHFFFAOYAM
Std. InChI: InChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
Std. InChIKey: DMJHEIDWSIAXCS-UHFFFAOYSA-N

Safety Profile

Safety Information of 4-Benzyloxyphenylboronic acid (CAS NO.146631-00-7):
Hazard Codes: IrritantXiCorrosiveC
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37/39-26
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.
Hazard Note: Corrosive