3,5-Dimethoxybenzyl chloride

The systematic name of 3,5-Dimethoxybenzyl chloride is 1-(chloromethyl)-3,5-dimethoxybenzene. With the CAS registry number 6652-32-0, it is also named as Benzene,1-(chloromethyl)-3,5-dimethoxy-. The product's categories are Miscellaneous; Methyl Halides; Phenyls & Phenyl-Het; Methyl Halides; Phenyls & Phenyl-Het. In addition, its molecular formula is C₉H₁₁ClO₂ and molecular weight is 186.63.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.57; (6)ACD/BCF (pH 7.4): 27.57; (7)ACD/KOC (pH 5.5): 373.82; (8)ACD/KOC (pH 7.4): 373.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 49.37 cm³; (15)Molar Volume: 165.1 cm³; (16)Polarizability: 19.57×10^-24cm³; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 113.5 °C; (20)Melting point: 46-48 °C; (21)Enthalpy of Vaporization: 55.41 kJ/mol; (22)Boiling Point: 334.1 °C at 760 mmHg; (23)Vapour Pressure: 0.000254 mmHg at 25 °C.

Uses of 3,5-Dimethoxybenzyl chloride: it can react with hydrocyanic acid; sodium salt to get (3,5-dimethoxy-phenyl)-acetonitrile.



This reaction needs ethanol and H₂O by heating for 4 hours. The yield is 93 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It also irritates to eyes and respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, you should take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCc1cc(OC)cc(OC)c1
(2)InChI: InChI=1/C9H11ClO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3
(3)InChIKey: CCAWDIFJOBKBSE-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H11ClO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3
(5)Std. InChIKey: CCAWDIFJOBKBSE-UHFFFAOYSA-N