2-Methylbenzyl chloride

The o-Methylbenzyl chloride is an organic compound with the formula C₈H₉Cl. The IUPAC name of this chemical is 1-(chloromethyl)-2-methylbenzene. With the CAS registry number 552-45-4, it is also named as benzene, 1-(chloromethyl)-2-methyl-. The product's category is Intermediates of Dyes and Pigments. Besides, it is colorless to light yellow liquid, which should be stored in cool and dry place. It is used as intermediates in organic synthesis, it is used for synthesis of methyl benzyl alcohol, methyl benzene, formaldehyde, etc.

Physical properties about o-Methylbenzyl chloride are: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 5.5): 2.95; (3)ACD/LogD (pH 7.4): 2.95; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: Å²; (6)Index of Refraction: 1.524; (7)Molar Refractivity: 40.84 cm³; (8)Molar Volume: 133.4 cm³; (9)Polarizability: 16.19×10^-24cm³; (10)Surface Tension: 33.1 dyne/cm; (11)Density: 1.054 g/cm³; (12)Flash Point: 76 °C; (13)Enthalpy of Vaporization: 41.96 kJ/mol; (14)Boiling Point: 201.3 °C at 760 mmHg; (15)Vapour Pressure: 0.441 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dimethyl-benzene. This reaction will need reagent SO₂Cl₂ and BPO by heating. The yield is about 50%.

Uses of o-Methylbenzyl chloride: it can be used to produce 2,2',5'-Trimethyl-diphenylmethan by heating. It will need reagent zinc stearate with reaction time of 12.5 hours. The yield is about 67%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. 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: Cc1ccccc1CCl
(2)InChI: InChI=1/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
(3)InChIKey: VQRBXYBBGHOGFT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
(5)Std. InChIKey: VQRBXYBBGHOGFT-UHFFFAOYSA-N