1,3-Cyclooctadiene

The 1,3-Cyclooctadiene, with the CAS registry number 1700-10-3, is also known as Cycloocta-1,3-diene. It belongs to the product categories of Alkenes; Cyclic; Organic Building Blocks. Its EINECS registry number is 216-929-1. This chemical's molecular formula is C₈H₁₂ and molecular weight is 108.18. What's more, its IUPAC name is called (1Z,3Z)-Cycloocta-1,3-diene.

Physical properties about 1,3-Cyclooctadiene are: (1) ACD/LogP: 3.52; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.52; (4) ACD/LogD (pH 7.4): 3.52; (5) ACD/BCF (pH 5.5): 278.69; (6) ACD/BCF (pH 7.4): 278.69; (7) ACD/KOC (pH 5.5): 1958.06; (8) ACD/KOC (pH 7.4): 1958.06; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å²; (13) Index of Refraction: 1.473; (14) Molar Refractivity: 36.1 cm³; (15) Molar Volume: 128.5 cm³; (16) Surface Tension: 30.9 dyne/cm; (17) Density: 0.841 g/cm³; (18) Flash Point: 25.1 °C; (19) Enthalpy of Vaporization: 37.1 kJ/mol; (20) Boiling Point: 150.1 °C at 760 mmHg; (21) Vapour Pressure: 4.98 mmHg at 25 °C; (22) Melting Point: -53 – -51 °C.

Preparation of 1,3-Cyclooctadiene: this chemical can be prepared by Cycloocta-1c,5c-diene. This reaction needs reagent H₂ and catalyst Polymer-bound Ni²-catalyst at temperature of 100 °C. The reaction time is 15 hours. The yield is 48 %.

Uses of 1,3-Cyclooctadiene: it is used to produce other chemicals. For example, it is used to produce 1-Chloro-4-trichloromethyl-cyclooct-2-ene. The reaction occurs with catalyst Ru(PPh₃)₃Cl₂ at temperature of 80 °C for 9 hours.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. It at low levels may cause damage to health. In addition, it is flammable and it may cause lung damage if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately. If swallowed, do not induce vomiting: you should seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC=CCCCC1
(2) InChI: InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2
(3) InChIKey: RRKODOZNUZCUBN-UHFFFAOYAD