Cycloheptane

The IUPAC name of this chemical is Cycloheptane. With the CAS registry number 291-64-5 and EINECS registry number 206-030-2, it is also named as Heptamethylene. In addition, the molecular formula is C₇H₁₄ and the molecular weight is 98.19. It is a kind of clear colourless liquid and belongs to the classes of Alkanes; Cyclic; Organic Building Blocks.

Physical properties about this chemical are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 3.95; (3)ACD/LogD (pH 7.4): 3.95; (4)ACD/BCF (pH 5.5): 591.53; (5)ACD/BCF (pH 7.4): 591.53; (6)ACD/KOC (pH 5.5): 3355.69; (7)ACD/KOC (pH 7.4): 3355.69 ; (8)Index of Refraction: 1.433; (9)Molar Refractivity: 32.28 cm³; (10)Molar Volume: 124.1 cm³; (11)Polarizability: 12.79 ×10^-24cm³; (12)Surface Tension: 25.9 dyne/cm; (13)Density: 0.79 g/cm³; (14)Flash Point: 6.1 °C; (15)Enthalpy of Vaporization: 34.2 kJ/mol; (16)Boiling Point: 118.5 °C at 760 mmHg; (17)Vapour Pressure: 19.9 mmHg at 25°C.

Preparation of Cycloheptane: it can be prepared by cycloheptene. This reaction will need reagent H₂, catalyst Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) and solvent H₂O. The reaction time is 8 hours with ambient temperature. The yield is about 95%.

Uses of Cycloheptane: it can be used as a nonpolar solvent for the chemical industry and as an intermediate in the manufacture of chemicals and pharmaceutical drugs. And it can be used to get fluorocycloheptane. This reaction will need reagent CsSO₄F and solvent acetonitrile. The yield is about 34% at reaction temperature of 35 °C.

When you are using this chemical, please be cautious about it as the following:
This chemial is highly flammable. And it may cause lung damage if swallowed. During using it, you should avoid contact with skin and eyes. And you should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). If swallowed, do not induce vomiting and should seek medical advice immediately and show this container or label. In addition, you should keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCCCCC1
(2)InChI: InChI=1/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
(3)InChIKey: DMEGYFMYUHOHGS-UHFFFAOYAF