6-Chlorohex-1-ene

The 6-Chlorohex-1-ene, with the CAS registry number of 928-89-2, is also known as 5-Hexenyl chloride. It belongs to the product categories of Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. Its EINECS registry number is 213-186-5. This chemical's molecular formula is C₆H₁₁Cl and molecular weight is 118.6. What's more, both its systematic name and IUPAC name are the same which is called 6-Chlorohex-1-ene. In addition, it must be stored in airtight containers that full of noble gas and placed in a dry, cool place.

Physical properties about the 6-Chlorohex-1-ene are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.16; (6)ACD/BCF (pH 7.4): 145.16; (7)ACD/KOC (pH 5.5): 1227.6; (8)ACD/KOC (pH 7.4): 1227.6; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.427; (14) Molar Refractivity: 34.42 cm³; (15)Molar Volume: 134 cm³; (16)Surface Tension: 24.5 dyne/cm; (17)Density: 0.884 g/cm³; (18)Flash Point: 32.6 °C; (19)Enthalpy of Vaporization: 36.21 kJ/mol; (20)Boiling Point: 140.5 °C at 760 mmHg; (21)Vapour Pressure: 7.64 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Tetrachloromethane with Tri(1-hexene-6-yl)phosphite. The reaction needs solvent Toluene. The reaction temperature is 80 °C. The yield is about 75 %.

 

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(5-Hexenyl)-1,3-dithiane. This reaction needs reagent [1,3]Dithian-2-yl-lithium and solvent Tetrahydrofuran . The yield is about 92 %.

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. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES:ClCCCC\C=C
(2) InChI:InChI=1/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2
(3) InChIKey:BLMIXWDJHNJWDT-UHFFFAOYAH