125415

1,4-Cyclohexadiene

97%

• Synonym(s): 1,4-Dihydrobenzene
• Empirical Formula (Hill Notation): C₆H₈
• CAS Number: 628-41-1
• Molecular Weight: 80.13
• Beilstein: 1900733
• MDL number: MFCD00001535
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847665
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: liquid
• contains: ~0.1% hydroquinone as stabilizer
• impurities: 3% benzene
• refractive index: n20/D 1.472 (lit.)
• bp: 88-89 °C (lit.)
• density: 0.847 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: C1C=CCC=C1
• InChI: 1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
• InChI key: UVJHQYIOXKWHFD-UHFFFAOYSA-N

Description

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.

Application

1,4-Cyclohexadiene (1,4-CHD) was used to study the formation of parent ion from heavy fragmentation of 1,4-CHD on irradiation with a high-intensity laser pulse.

Useful for the reduction of radical intermediates formed in electron-transfer mediated ring-opening reactions

Safety Information

• Pictograms: GHS02,GHS08
• Signal Word: Danger
• Hazard Statements: H225,H340,H350,H373
• Precautionary Statements: P202 - P210 - P233 - P240 - P241 - P308 + P313
• Hazard Classifications: Carc. 1A - Flam. Liq. 2 - Muta. 1B - STOT RE 2
• Target Organs: Blood
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 19.4 °F - closed cup
• Flash Point(C): -7 °C - closed cup