4-(Benzyloxy)benzyl chloride

The Benzene,1-(chloromethyl)-4-(phenylmethoxy)- is an organic compound with the formula C₁₄H₁₃ClO. The systematic name of this chemical is 1-(benzyloxy)-4-(chloromethyl)benzene. With the CAS registry number 836-42-0, it is also named as Benzyl 4-(chloromethyl)phenyl ether. Besides, it should be stored in a dark and cool place at temperature of 2 - 8 °C.

Physical properties about Benzene,1-(chloromethyl)-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.06; (2)ACD/LogD (pH 5.5): 4.06; (3)ACD/LogD (pH 7.4): 4.06; (4)ACD/BCF (pH 5.5): 714.17; (5)ACD/BCF (pH 7.4): 714.17; (6)ACD/KOC (pH 5.5): 3840.21; (7)ACD/KOC (pH 7.4): 3840.21; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 9.23 Å²; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 67.18 cm³; (13)Molar Volume: 201.8 cm³; (14)Polarizability: 26.63×10^-24cm³; (15)Surface Tension: 41.1 dyne/cm; (16)Density: 1.152 g/cm³; (17)Flash Point: 168.5 °C; (18)Enthalpy of Vaporization: 57.72 kJ/mol; (19)Boiling Point: 355.7 °C at 760 mmHg; (20)Vapour Pressure: 6.3E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-benzyloxy-benzyl alcohol. This reaction will need reagent SOCl₂ and solvent CH₂Cl₂. The reaction time is 60 min with reaction temperature of 20 °C. The yield is about 98%.

Uses of Benzene,1-(chloromethyl)-4-(phenylmethoxy)-: it can be used to produce 1-benzyloxy-4-iodomethyl-benzene. It will need reagent NaI and solvent acetone. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
It can causes burn. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C14H13ClO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
(3)InChIKey: UYQPSKUPEXAQRJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H13ClO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
(5)Std. InChIKey: UYQPSKUPEXAQRJ-UHFFFAOYSA-N