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1,3-Cyclohexadiene

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Name

1,3-Cyclohexadiene

EINECS
CAS No. 592-57-4 Density 0.861g/cm3
Solubility Melting Point -98 °C
Formula C6H8 Boiling Point 80 °C(lit.)
Molecular Weight 80.13 Flash Point °C
Transport Information Appearance
Safety A dangerous fire hazard when exposed to heat, flame, or oxidizers. It forms explosive polymeric oxides on exposure to air. When heated to decomposition it emits acrid smoke and fumes. Risk Codes R11;R37;
Molecular Structure Molecular Structure of 592-57-4 (1,3-Cyclohexadiene) Hazard Symbols FXi
Synonyms

Benzene,dihydro- (1CI);

 

1,3-Cyclohexadiene Specification

1,3-Cyclohexadiene is an organic compound with the formula (CH2)2(CH)4. It is a colorless, flammable liquid. Its refractive index is 1.475 (20 °C, D). A naturally occurring derivative of 1,3-cyclohexadiene is terpinene, a component of pine oil. With the CAS NO. 592-57-4, it is also called Cyclohexadiene; DIHYDROBENZENE; l,3-Cyclohexadiene; 1,2-DIHYDROBENZENE; 1,3-CYCLOHEXADIENE; Cyclohexa-1,3-diene; 1,3-Cyclohexanediene; 1,3-Cyclohexadiene,96%; 1,3-Cyclohexadiene,99%; 1,3-CYCLOHEXADIENE 97%. 1,3-Cyclohexadiene can be used as a hydrogen donor in transfer hydrogenation.

Physical properties about 1,3-Cyclohexadiene are: (1)ACD/LogP: 2.594; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)ACD/BCF (pH 5.5): 55.14; (5)ACD/BCF (pH 7.4): 55.14; (6)ACD/KOC (pH 5.5): 613.97; (7)ACD/KOC (pH 7.4): 613.97; (8)Index of Refraction: 1.49 ; (9)Molar Refractivity: 26.878 cm3; (10)Molar Volume: 93.041 cm3; (11)Polarizability: 10.655 10-24cm3; (12)Surface Tension: 33.0089988708496 dyne/cm; (13)Density: 0.861 g/cm3; (14)Flash Point: -18.889 °C; (15)Enthalpy of Vaporization: 31.962 kJ/mol; (16)Boiling Point: 93.697 °C at 760 mmHg; (17)Vapour Pressure: 55.6619987487793 mmHg at 25°C

Preparation of 1,3-Cyclohexadiene: 1,3-Cyclohexadiene is prepared by the dehydrobromination of 1,2-dibromocyclohexane:
(CH2)4(CHBr)2 + 2 NaH → (CH2)2(CH)4 + 2 NaBr + 2 H2
1,3-Cyclohexadiene can also be prepared by the electrocyclic reaction from 1,3,5-hexatriene either photochemically or at temperatures above 110 °C.

When you are using 1,3-Cyclohexadiene, please be cautious about it as the following:
1. Keep container in a well-ventilated place;
2. Keep away from sources of ignition - No smoking;
3. Do not empty into drains;
4. Take precautionary measures against static discharges;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2;
(2)InChIKey=MGNZXYYWBUKAII-UHFFFAOYSA-N;
(3)SmilesC1CC=CC=C1;

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