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Merck
CN

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

Key Documents

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Product Name

1,4-Cyclohexadiene, purum, ≥97.0% (GC)

InChI key

UVJHQYIOXKWHFD-UHFFFAOYSA-N

InChI

1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2

SMILES string

C1C=CCC=C1

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.)

Quality Level

200

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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

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

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCK6443
BCCH0067
BCCF7806
BCBX5456
BCBT8810

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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
J.S. Bajwa
Tetrahedron Letters, 33, 2299-2299 (1992)
Yan Meng et al.
Nanoscale, 5(24), 12178-12184 (2013-09-24)
To promote possible applications of graphene in molecular identification based on stacking effects, in particular in recognizing aromatic amino acids and even sequencing nucleobases in life sciences, we comprehensively study the interaction between graphene segments and different cyclic organic hydrocarbons
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.
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