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Merck
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Key Documents

125415

Sigma-Aldrich

1,4-Cyclohexadiene

97%

동의어(들):

1,4-Dihydrobenzene

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About This Item

실험식(Hill 표기법):
C6H8
CAS Number:
Molecular Weight:
80.13
Beilstein:
1900733
MDL number:
UNSPSC 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

분석

97%

형태

liquid

포함

~0.1% hydroquinone as stabilizer

불순물

3% benzene

refractive index

n20/D 1.472 (lit.)

bp

88-89 °C (lit.)

density

0.847 g/mL at 25 °C (lit.)

저장 온도

2-8°C

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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일반 설명

1,4-Cyclohexadiene is an effective hydrogen donor for catalytic hydrogenation reactions. It can rapidly replace benzyl groups of N-benzyloxycarbamates, benzyl esters, benzyl ethers and benzyl amines with hydrogen. It forms benzene at elevated temperatures in the presence of a ruthenium(II)-triphenylphosphine catalyst.

애플리케이션

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.
Useful for the reduction of radical intermediates formed in electron-transfer mediated ring-opening reactions

픽토그램

FlameHealth hazard

신호어

Danger

유해 및 위험 성명서

Hazard Classifications

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

표적 기관

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


시험 성적서(COA)

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문서 라이브러리에서 최근에 구매한 제품에 대한 문서를 찾아보세요.

문서 라이브러리 방문

A key factor in parent and fragment ion formation on irradiation with an intense femtosecond laser pulse.
Harada H, et al.
Chemical Physics Letters, 342(5), 563-570 (2001)
Organometallics, 25, 5456-5456 (2006)
Kyung-Bin Cho et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(33), 10444-10453 (2012-06-21)
The experimentally measured bimolecular reaction rate constant, k(2), should in principle correlate with the theoretically calculated rate-limiting free energy barrier, ΔG(≠), through the Eyring equation, but it fails quite often to do so due to the inability of current computational
Yide Gao et al.
The journal of physical chemistry. A, 113(25), 6955-6963 (2009-06-06)
A quantitative understanding of the thermochemistry of cyclohexadienyl radical and 1,4-cyclohexadiene is beneficial for diverse areas of chemistry. Given the interest in these two species, it is surprising that more detailed thermodynamic data concerning the homolytic C-H bond enthalpies of
Kazutada Ikeuchi et al.
Organic letters, 14(23), 6016-6019 (2012-11-15)
Asymmetric bromolactonization of prochiral cyclohexadiene derivatives with N-bromosuccimide proceeded in the presence of (DHQD)(2)PHAL as a chiral catalyst to afford the corresponding bromolactones with up to 93% ee. This reaction was also applicable to the kinetic resolution of a racemic

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