2-CHLORO-2-METHYLHEXANE

The 2-Chloro-2-methyl-hexane, with the CAS registry number 4398-65-6, is also known as Hexane, 2-chloro-2-methyl-. This chemical's molecular formula is C₇H₁₅Cl and molecular weight is 134.65. What's more, its IUPAC name is 2-Chloro-2-methylhexane. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light.

Physical properties about 2-Chloro-2-methyl-hexane are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 448.25; (6)ACD/BCF (pH 7.4): 448.25; (7)ACD/KOC (pH 5.5): 2751.46; (8)ACD/KOC (pH 7.4): 2751.46; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 39.29 cm³; (15)Molar Volume: 155.5 cm³; (16)Polarizability: 15.57×10^-24 cm³; (17)Surface Tension: 23.9 dyne/cm; (18)Density: 0.865 g/cm³; (19)Flash Point: 33.5 °C; (20)Enthalpy of Vaporization: 36.16 kJ/mol; (21)Boiling Point: 140 °C at 760 mmHg; (22)Vapour Pressure: 7.82 mmHg at 25 °C.

Preparation of 2-Chloro-2-methyl-hexane: this chemical is prepared by 2-Methyl-hexan-2-ol. The reaction needs reagent HCl. The yield is about 95 %.

Uses of 2-Chloro-2-methyl-hexane: it is used to produce other chemicals. For example, it is used to produce (1, 1-Dimethyl-pentyl)-benzene. The reaction needs reagent Ferric chloride. The reaction time is 3 hours with reaction temperature of 20-25 °C. The yield is about 44 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C)(C)CCCC
(2) InChI: InChI=1/C7H15Cl/c1-4-5-6-7(2,3)8/h4-6H2,1-3H3
(3) InChIKey: KBOBQLJBYKKAPN-UHFFFAOYAQ