1,4-Cyclohexadiene
ALDRICH/28910 - purum, ≥97.0% (GC)
Synonym: 1,4-Dihydrobenzene
CAS Number: 628-41-1
Empirical Formula (Hill Notation): C6H8
Molecular Weight: 80.13
EC Number: 211-043-1
MDL Number: MFCD00001535
Linear Formula: C6H8
Product Type: Chemical
12 Principles of Green Chemistry: Principle 5—Safer Solvents and Auxiliaries. This product utilizes reduced volumes of auxiliary substances that are less hazardous.
| assay | ≥97.0% (GC) |
| bp | 88-89 °C (lit.) |
| contains | ~0.2% 2,6-di-tert-butyl-4-methy |
| density | 0.847 g/mL at 25 °C (lit.) |
| form | liquid |
| grade | purum |
| InChI | 1S/C6H8/c1-2-4-6-5-3-1/h1 |
| InChI key | UVJHQYIOXKWHFD-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| n |
|
| SMILES string | C1C=CCC=C1 |
| 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. |
| 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. |
| Other Notes: | Reagent for selectively cleaving benzyl esters in the presence of benzyl ethers by catalytic H-transfer |
| Symbol |   GHS02,GHS08 |
| Signal word | Danger |
| Hazard statements | H225 - H340 - H350 - H373 |
| Precautionary statements | P202 - P210 - P233 - P240 - P241 - P308 + P313 |
| Hazard Codes | F,T |
| Risk Statements | 45-46-11-48/20/21/22 |
| Safety Statements | 53-16-45 |
| RIDADR | UN 3295BF 3 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 19.4 °F - closed cup |
| Flash Point(C) | -7 °C - closed cup |
| Purity | ≥97.0% (GC) |
| bp | 88-89 °C (lit.) |
| Density | 0.847 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |