1,2-Dichloroethane-d4(Isotopic)

Catalog Number	ACM17060070-3
CAS	17060-07-0
Structure
Synonyms	Ethane-1,1,2,2-d4, 1,2-dichloro-
Molecular Weight	102.99
Boiling Point	83°
Melting Point	-35°
Flash Point	15°(60°F)
Purity	99%
Appearance	Liquid
Storage	Ambient
Chemical Formula	Cl(CD2)2Cl
Hazards	Highly flammable liquid and vapour. Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. May cause cancer.
MDL Number	MFCD00037531
Notes	Ship from: DE Should be kept away from direct sunlight. Storage sensitivity: Ambient temperatures. TSCA reach: no
Size	1g/5g/5x1g

Case Study

1,2-Dichloroethane-d4 for Hydrogen Abstraction Kinetics

Sarzyński, Dariusz S., et al. Chemical Physics Letters, 2014, 597, 86-93.

This work used the relative rate method to measure the total rate constant (k_H) for the hydrogen abstraction reaction [ CH2ClCH2Cl + Cl → CH2ClCHCl + HCl (1)] and the total rate constant (k_D) for the reaction of fully deuterated 1,2-dichloroethane [CD2ClCD2Cl + Cl → CD2ClCDCl + DCl (2)]. By independently measuring the ratio of the relative rate constants of reactions (1) and (2) at the same temperature, the kinetic isotope effect (KIE) can be determined, which is defined as the ratio of k_H/k_D. KIE values provide useful information for interpreting the stable isotopic composition of organic compounds in the atmosphere.
Gas-phase reaction experiments
· The gas-phase reactions of chlorine atoms with 1,2-dichloroethane and 1,2-dichloroethane-d4 were studied between 298 and 528.5 K, using chloromethane as a reference. In all experiments, the concentration ratios of CH2ClCH2Cl and CD2ClCD2Cl to CH3Cl were approximately 1:1. Experiments were conducted at a total pressure of 100 Torr, with Cl2 partial pressures ranging from 4.7 to 5.1 Torr (0.8-1.7 × 1017 molecule cm-3).
· At 298 and 528.5 K, experiments were repeated at 750 Torr total pressure, with CH2ClCH2Cl, CD2ClCD2Cl, and CH3Cl partial pressures between 2.4 and 2.6 Torr (0.4-0.9 × 1017 molecule cm-3).
· Chlorine atoms were generated by Cl2 photolysis at 330 nm, the wavelength of maximum Cl2 molar extinction. The Cl atom concentration was not determined. Irradiation times (10 s to 30 min) and bandwidths (10 or 20 nm) were adjusted based on reaction temperature to achieve suitable reactant conversions, which ranged from 2% to nearly 90% for CH2ClCH2Cl + Cl, 2% to 75% for CD2ClCD2Cl + Cl, and 1% to 80% for CH3Cl + Cl.

1,2-Dichloroethane-D4 as Internal Standard for Volatile Organic Compounds Measurement

Ganne, Alice, et al. Proceedings eurogeo. 2008, 4(7), 119.

This article performed experimental analysis on the adsorption and diffusion of organic contaminants by GCLs and experimental results obtained for the adsorption of 4 VOCs by constitutive geotextiles into GCLs. In the GCL VOC adsorption tests, two internal standards, toluene-d8 and 1,2-dichloroethane-d4, had known concentrations to quantify the VOC's aqueous solution concentration.
Analytical Methodology
· The volatile organic compounds (VOCs) were measured by headspace gas chromatography-mass spectrometry (HS-GC-MS). Five millilitres of sample were incubated at 70°C for 10 minutes before 1 mL of headspace gas was added to the GC. Then used a split/splitless injector with split function (12 mL/min split flow). The experiments were separated using a 60 m 0.25 mm DB-5 capillary column following an oven program: 30°C initial for 15 minutes ramped 30°C/min, 200°C final for 5 minutes.
· VOC quantification was performed using single ion monitoring (SIM). The following m/z ions were monitored: 62 (1,2-dichloroethane), 67 (1,2-dichloroethane-d4), 78 (benzene), 84 (dichloromethane), 91 (toluene), 95 (trichloroethylene), and 98 (toluene-d8).

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1,2-Dichloroethane-d4(Isotopic) (17060-07-0)

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