28910

1,4-Cyclohexadiene

purum, ≥97.0% (GC)

• Synonym(s): 1,4-Dihydrobenzene
• Empirical Formula (Hill Notation): C₆H₈
• CAS Number: 628-41-1
• Molecular Weight: 80.13
• Beilstein: 1900733
• EC Number: 211-043-1
• MDL number: MFCD00001535
• UNSPSC Code: 12352100
• PubChem Substance ID: 57648333
• NACRES: NA.22

Properties

• grade: purum
• Assay: ≥97.0% (GC)
• form: liquid
• contains: ~0.2% 2,6-di-tert-butyl-4-methylphenol as stabilizer
• refractive index: n20/D 1.472 (lit.); n20/D 1.473
• bp: 88-89 °C (lit.)
• density: 0.847 g/mL at 25 °C (lit.)
• 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 reaction. The interaction between graphene segments and 1,4-cyclohexadiene was stuided using density-functional tight-binding (DFTB) method.

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.

Other Notes

Reagent for selectively cleaving benzyl esters in the presence of benzyl ethers by catalytic H-transfer

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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves