28910
1,4-Cyclohexadiene
purum, ≥97.0% (GC)
Synonym(s):
1,4-Dihydrobenzene
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About This Item
Empirical Formula (Hill Notation):
C6H8
CAS Number:
Molecular Weight:
80.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-043-1
Beilstein/REAXYS Number:
1900733
MDL number:
Assay:
≥97.0% (GC)
Form:
liquid
grade
purum
Quality Level
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
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
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signalword
Danger
hcodes
Hazard Classifications
Carc. 1A - Flam. Liq. 2 - Muta. 1B - STOT RE 2
target_organs
Blood
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
19.4 °F - closed cup
flash_point_c
-7 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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A.M. Felix et al.
The Journal of Organic Chemistry, 43, 4194-4194 (1978)
A key factor in parent and fragment ion formation on irradiation with an intense femtosecond laser pulse.
Chemical Physics Letters, 563-570 null
Monika Ali Khan et al.
Chemical communications (Cambridge, England), 47(1), 215-217 (2010-08-24)
A cyclohexadiene ligand prepared by microbial arene 1,2-dihydroxylation undergoes spontaneous rearrangement upon complexation to tricarbonyliron(0). Subsequent iron removal affords a novel route to formal arene 2,3-dihydroxylation products enantiomeric to those obtainable by direct microbial arene oxidation.
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 28910-25ML | 04061837865282 |
| 28910-5ML | 04061826275962 |