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| Product Name: | Cyclohexa-1,4-diene | | Synonyms: | 1,4-DIHYDROBENZENE;1,4-Cyclohexadiene puruM, >=97.0% (GC);1,4-CycL;ohexadiene;1,4-CYCLOHEXADIENE, 97%1,4-CYCLOHEXADIENE, 97%1,4-CYCLOHEXADIENE, 97%1,4-CYCLOHEXADIENE, 97%;1,4-Cyclohexadiene,% stab. with 0.1% BHT;1,4-CYCLOHEXADIENE, STAB.;1,4-CYCLOHEXADIENE, STANDARD FOR GC, STA B. | | CAS: | 628-41-1 | | MF: | C6H8 | | MW: | 80.13 | | EINECS: | 211-043-1 | | Product Categories: | Alkenes;Building Blocks;Chemical Synthesis;Cyclic;Organic Building Blocks | | Mol File: | 628-41-1.mol |  |
| | Cyclohexa-1,4-diene Chemical Properties |
| Melting point | -49.2 °C | | Boiling point | 88-89 °C (lit.) | | density | 0.847 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.472(lit.) | | Fp | 20 °F | | storage temp. | 2-8°C | | form | Liquid | | color | Clear colorless | | Water Solubility | Miscible with organic solvents like diethyl ether, tetrahydrofuran and toluene.Immiscible with water. | | BRN | 1900733 | | Henry's Law Constant | 1.3×10-3 mol/(m3Pa) at 25℃, Brockbank (2013) | | Exposure limits | ACGIH: TWA 2 mg/m3
NIOSH: TWA 10 mg/m3 | | Dielectric constant | 2.2599999999999998 | | Stability: | Stable. Highly flammable. Incompatible with strong oxidizing agents. | | InChI | 1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2 | | InChIKey | UVJHQYIOXKWHFD-UHFFFAOYSA-N | | SMILES | C1C=CCC=C1 | | LogP | 2.300 | | CAS DataBase Reference | 628-41-1(CAS DataBase Reference) | | NIST Chemistry Reference | 1,4-Cyclohexadiene(628-41-1) | | EPA Substance Registry System | 1,4-Cyclohexadiene (628-41-1) |
| Hazard Codes | F,T | | Risk Statements | 11-48/20/21/22-46-45 | | Safety Statements | 53-45-16 | | RIDADR | UN 3295 3/PG 2 | | WGK Germany | 3 | | F | 23 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29021990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Carc. 1A
Flam. Liq. 2
Muta. 1B
STOT RE 2 |
| | Cyclohexa-1,4-diene Usage And Synthesis |
| Preparation | Cyclohexa-1,4-diene is typically prepared by Birch reduction, which involves reducing benzene with metallic lithium or sodium in liquid ammonia. However, Cyclohexa-1,4-diene is unstable and readily oxidized to aromatic benzene. In the laboratory, this conversion is usually carried out using olefins (such as styrene) and transfer hydrogenation agents (such as charcoal-based palladium) as catalysts. | | Chemical Properties | colourless liquid | | Uses | Reagent for selectively cleaving benzyl esters in the presence of benzyl ethers by catalytic H-transfer. | | Uses | Forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst.1 | | Uses | 1,4-Cyclohexadiene is used to study the formation of parent ion from heavy fragmentation on irradiation with a high-intensity laser pulse. It is also used as a very effective hydrogen donor for catalytic hydrogenation reaction. It forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst. | | Definition | ChEBI: Cyclohexa-1,4-diene is a cyclohexadiene. | | General Description | 1,4-Cyclohexadiene is an effective hydrogen donor for catalytic hydrogenation reactions. It can rapidly replace benzyl groups of N-benzyloxycarbamates, benzyl esters, benzyl ethers and benzyl amines with hydrogen. It forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst.
| | Purification Methods | Dry the diene over CaCl2 and distil it in a vacuum under N2. [Hückel & W.rffel Chem Ber 88 338 1955, Giovannini & Wegmüller Helv Chim Acta 42 1142 1959.] [Beilstein 5 IV 385.] |
| | Cyclohexa-1,4-diene Preparation Products And Raw materials |
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