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28910

Sigma-Aldrich

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:
628-41-1
Molecular Weight:
80.13
Beilstein/REAXYS Number:
1900733
EC Number:
211-043-1
MDL number:
MFCD00001535
UNSPSC Code:
12352100
PubChem Substance ID:
57648333
NACRES:
NA.22

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

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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

pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

Hazard Classifications

Carc. 1A - Flam. Liq. 2 - Muta. 1B - STOT RE 2

target_organs

Blood

Storage Class

3 - Flammable liquids

wgk_germany

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

Certificates of Analysis (COA)

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A key factor in parent and fragment ion formation on irradiation with an intense femtosecond laser pulse.
Chemical Physics Letters, 563-570 null
A.M. Felix et al.
The Journal of Organic Chemistry, 43, 4194-4194 (1978)
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.
Vladimir S Petrović et al.
Physical review letters, 108(25), 253006-253006 (2012-09-26)
We report the first study of UV-induced photoisomerization probed via core ionization by an x-ray laser. We investigated x-ray ionization and fragmentation of the cyclohexadiene-hexatriene system at 850 eV during the ring opening. We find that the ion-fragmentation patterns evolve
William A Donald et al.
Dalton transactions (Cambridge, England : 2003), 41(11), 3185-3193 (2012-01-31)
Relatively little is known about structural transformations of very small metal clusters that result from the adsorption of molecules. Here, the ligand-induced structural transformation of Ag(5)(+)(g) by 1,4-cyclohexadiene, which is capable of binding metal clusters as a bidentate ligand, is
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