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1-2-Cyclohexanedione

CAS# 765-87-7

1-2-Cyclohexanedione

Catalog No. BCN2265----Order now to get a substantial discount!

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Quality Control of 1-2-Cyclohexanedione

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Chemical structure

1-2-Cyclohexanedione

3D structure

Chemical Properties of 1-2-Cyclohexanedione

Cas No. 765-87-7 SDF Download SDF
PubChem ID 13006 Appearance Powder
Formula C6H8O2 M.Wt 112.13
Type of Compound Miscellaneous Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name cyclohexane-1,2-dione
SMILES C1CCC(=O)C(=O)C1
Standard InChIKey OILAIQUEIWYQPH-UHFFFAOYSA-N
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Source of 1-2-Cyclohexanedione

The

Biological Activity of 1-2-Cyclohexanedione

Description1. 1,2-Cyclohexanedione, an arginine specific reagent , causes inhibition of transport and a reduction of the capacity of the band 3 protein to bind the specific transport inhibitor H 2DIDS.

1-2-Cyclohexanedione Dilution Calculator

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1-2-Cyclohexanedione Molarity Calculator

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Preparing Stock Solutions of 1-2-Cyclohexanedione

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 8.9182 mL 44.5911 mL 89.1822 mL 178.3644 mL 222.9555 mL
5 mM 1.7836 mL 8.9182 mL 17.8364 mL 35.6729 mL 44.5911 mL
10 mM 0.8918 mL 4.4591 mL 8.9182 mL 17.8364 mL 22.2955 mL
50 mM 0.1784 mL 0.8918 mL 1.7836 mL 3.5673 mL 4.4591 mL
100 mM 0.0892 mL 0.4459 mL 0.8918 mL 1.7836 mL 2.2296 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on 1-2-Cyclohexanedione

Photodissociation dynamics of enolic 1,2-cyclohexanedione at 266, 248, and 193 nm: mechanism and nascent state product distribution of OH.[Pubmed:23444923]

J Phys Chem A. 2013 Mar 28;117(12):2415-26.

The photodissociation dynamics of 1,2-cyclohexanedione (CHD), which exists in enolic form in gas phase, is studied using pulsed laser photolysis (LP)-laser induced fluorescence (LIF) "pump-and-probe" technique at room temperature. The nascent state distribution of the OH radical, formed after initial photoexcitation of the molecule to it is (pi, pi*) and Rydberg states, is determined. The initial (pi, pi*) and Rydberg states are prepared by excitation with the fourth harmonic output of Nd:YAG (266 nm)/KrF (248 nm) and ArF (193 nm) lasers, respectively. The ro-vibrational distribution of the nascent OH photofragment is measured in collision-free conditions using LIF. The OH fragments are formed in the vibrationally cold state at all the above wavelengths of excitation but differ in rotational state distributions. At 266 nm photolysis, the rotational population of OH shows a curvature in Boltzmann plot, which is fairly described by two types of Boltzmann-like distributions characterized by rotational temperatures of 3100 +/- 100 and 900 +/- 80 K. However, at 248 nm photolysis, the rotational distribution is described by a single rotational temperature of 950 +/- 80 K. The spin-orbit and Lambda-doublets ratios of OH fragments formed in the dissociation process are also measured. The average translational energy in the center-of-mass coordinate, partitioned into the photofragment pairs of the OH formation channels, is determined to be 12.5 +/- 3.0, 12.7 +/- 3.0, and 12.0 +/- 3.0 kcal/mol at 266, 248, and 193 nm excitation, respectively. The energy partitioning into various degrees of freedom of products is interpreted with the help of different models, namely, statistical, impulsive, and hybrid models. To understand the nature of the dissociative potential energy surface involved in the OH formation channel, detailed ab initio calculations are performed using configuration interaction-singles (CIS) method. It is proposed that at 266 nm photolysis, the OH fragment is formed from two different excited state structures, one with a strong H bonding, similar to that in the ground state, and another without effective H bonding, whereas, at 248 nm photodissociation, it seems that the OH formation occurs mainly from the excited state, which lacks effective H-bonding. At 193 nm excitation, the initially prepared population in the Rydberg state crosses over to a nearby sigma* repulsive state along the C-O bond, from where the dissociation takes place. The exit barrier for the OH dissociation channel is estimated to be 14 kcal/mol. The existence of dynamical constraint due to strong hydrogen bond in the ground state is effectively present in the dissociation process at 266 and somewhat deficient at 248 nm photolysis.

Microwave measurements of the spectra and molecular structure for the monoenolic tautomer of 1,2- cyclohexanedione.[Pubmed:25006688]

J Phys Chem A. 2015 Mar 5;119(9):1464-8.

The microwave spectrum for the monoenolic tautomer of 1,2-cyclohexanedione was measured in the 4-14 GHz regime using a pulsed-beam Fourier transform (PBFT), Flygare-Balle-type microwave spectrometer. The molecular structure and moments of inertia were initially calculated using Gaussian 09 using MP2 and 6-311++G** basis sets, and these calculations were used to predict the rotational constants and microwave spectra. Rotational transition frequencies were measured and used to determine rotational constants (A, B, and C) and centrifugal distortion constants (D(J) and D(K)). The rotational constants for the parent isotopologue, one singly substituted deuterium and six singly substituted (13)C isotopologues, were used in a least-squares fit to determine gas-phase structural parameters for this molecule. All hydrogen atoms were held fixed to the calculated positions, as well as the carbon atoms at positions 1 and 10 and the oxygen atoms at positions 6 and 7. The rotational constants for the parent isotopologue are A = 3161.6006(12), B = 2101.5426(3), and C = 1320.7976(4) MHz. The distortion constants obtained from the fit are D(J) = 0.0436 and D(K) = 0.436 kHz. Structural parameters from the MP2 calculations are in fair agreement with the measured parameters.

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