2-Chloro-1,3-dimethylbenzene

The Benzene,2-chloro-1,3-dimethyl-, with the CAS registry number 6781-98-2, is also known as 2-chloro-1,3-dimethylbenzene. It belongs to the product categories of Halogen toluene; Benzene derivates; Chlorine Compounds. Its EINECS number is 229-843-4. This chemical's molecular formula is C₈H₉Cl and formula weight is 140.61. What's more, its IUPAC name is 2-chloro-1,3-dimethylbenzene.

Physical properties of Benzene,2-chloro-1,3-dimethyl- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/BCF (pH 5.5): 405.01; (5)ACD/KOC (pH 5.5): 2558.75; (6)Index of Refraction: 1.521; (7)Molar Refractivity: 40.79 cm³; (8)Molar Volume: 133.9 cm³; (9)Surface Tension: 31.9 dyne/cm; (10)Density: 1.049 g/cm³; (11)Flash Point: 63.3 °C; (12)Enthalpy of Vaporization: 40.49 kJ/mol; (13)Boiling Point: 186 °C at 760 mmHg; (14)Vapour Pressure: 0.931 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-Dimethylphenylchlorformat at the temperature of 200°C. This reaction will need reagent AlCl₃ and various solvent(s) with the reaction time of 3.5 hours. The yield is about 95%.

Uses of Benzene,2-chloro-1,3-dimethyl-: it can be used to produce 2-chloro-3-methylbenzylbromide by heating. It will need reagent N-bromosuccinimide, benzoyl peroxide and solvent CCl₄ with the reaction time of 6 hours. It's a reaction of bromination. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful in contact with skin and if swallowed. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you must wear suitable protective clothing, gloves and eye/face protection. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=CC=C1)C)Cl
(2)InChI: InChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
(3)InChIKey: VDXLAYAQGYCQEO-UHFFFAOYSA-N