4-BENZYLOXY-2-HYDROXYBENZALDEHYDE

The Benzaldehyde, 2-hydroxy-4-(phenylmethoxy)-, with CAS registry number 52085-14-0, has the systematic name of 4-(benzyloxy)-2-hydroxybenzaldehyde. Besides this, it is also called Salicylaldehyde, 4-(benzyloxy)-(6CI,7CI). And the chemical formula of this chemical is C₁₄H₁₂O₃.

Physical properties of Benzaldehyde, 2-hydroxy-4-(phenylmethoxy)-: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 241.53; (6)ACD/BCF (pH 7.4): 173.25; (7)ACD/KOC (pH 5.5): 1764.89; (8)ACD/KOC (pH 7.4): 1265.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 66.05 cm³; (15)Molar Volume: 184.2 cm³; (16)Polarizability: 26.18×10^-24cm³; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.238 g/cm³; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 66.54 kJ/mol; (21)Boiling Point: 390.9 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-benzyloxy-2-hydroxy-benzaldehyde. This reaction will need reagents AlCl3, NaI and solvent acetonitrile. The reaction time is 1 hour(s) with reaction temperature of 0 ℃. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
The Benzaldehyde, 2-hydroxy-4-(phenylmethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=Cc2ccc(OCc1ccccc1)cc2O
(2)InChI: InChI=1/C14H12O3/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
(3)InChIKey: AMLKEDBYDOCGEG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H12O3/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
(5)Std. InChIKey: AMLKEDBYDOCGEG-UHFFFAOYSA-N