19199-91-8

Basic information

• Product Name: CHLOROETHANE-D5
• Synonyms: CHLOROETHANE-D5;ETHYL CHLORIDE-D5;Ethane-D5, chloro-
• CAS NO: 19199-91-8
• Molecular Formula: C2ClD5
• Molecular Weight: 69.54
• Mol File: 19199-91-8.mol

Chemical Properties

• Boiling Point: 12.733 °C at 760 mmHg
• Appearance: /
• Density: 0.953 g/cm³
• CAS DataBase Reference: CHLOROETHANE-D5(CAS DataBase Reference)
• NIST Chemistry Reference: CHLOROETHANE-D5(19199-91-8)
• EPA Substance Registry System: CHLOROETHANE-D5(19199-91-8)

Safety Data

• Hazard Codes: F+,Xn
• Statements: 12-40-52/53
• Safety Statements: 9-16-33-36/37-61
• Hazardous Substances Data: 19199-91-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
CHLOROETHANE-D5 is used as a reagent in chemical synthesis for the production of various compounds. The deuterium atoms in CHLOROETHANE-D5 can be incorporated into the synthesized products, providing isotopically labeled compounds that are useful for research purposes, such as studying reaction mechanisms, metabolic pathways, and the behavior of molecules in biological systems.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, CHLOROETHANE-D5 is used as a raw material for the synthesis of isotopically labeled drugs. These labeled drugs can be used in clinical trials and pharmacokinetic studies to better understand the drug's distribution, metabolism, and excretion in the body. Additionally, the use of deuterated compounds can potentially improve the drug's stability, solubility, and bioavailability.
Used in Solvent Applications:
CHLOROETHANE-D5 is used as a solvent in various chemical processes due to its ability to dissolve a wide range of substances. The deuterium atoms in CHLOROETHANE-D5 can affect the solvent's properties, such as its boiling point, viscosity, and dielectric constant, making it suitable for specific applications where unique solvent properties are required.
Used in Production of Vinyl Chloride:
CHLOROETHANE-D5 is used in the production of vinyl chloride, a key chemical intermediate for the manufacture of polyvinyl chloride (PVC), a widely used plastic material. The deuterium atoms in CHLOROETHANE-D5 can be incorporated into the vinyl chloride molecule, providing isotopically labeled PVC for research and development purposes.
Used in Production of Tetraethyl Lead:
In the past, CHLOROETHANE-D5 was used in the production of tetraethyl lead, an organolead compound that was once widely used as an antiknock agent in gasoline. Although the use of tetraethyl lead has been largely phased out due to environmental and health concerns, CHLOROETHANE-D5 may still be used in the production of other organolead compounds for specific applications.

Upstream product

• 6485-58-1 iodoethane-d5 
• 1859-08-1 ethanol-d5 

Downstream Products

• 17060-07-0 1,2-dichloro-1,1,2,2-tetradeuterio-ethane 
• 40202-09-3 1,1-dichloroethane-d₄ 

Relevant articles and documents

Equilibrium Geometry and Vibrational Frequencies of the 1:2 van der Waals Complexes between Methyl Chloride and Hydrogen Chloride

The equilibrium geometry, relative stability and vibrational frequencies for the 1:2 van der Waals complexes between CH3Cl and HCl have been investigated using MP2/6-31 + G** ab initio calculations.The results are used to interpret the IR spectrum of the 1:2 complex observed in solutions of CD3Cl-HCl mixtures dissolved in liquefied argon, and show that in these solutions the chain complex CD3Cl*HCl*HCl is formed.

Infrared Spectra and Relative Stability of Hydrogen Chloride van der Walls Complexes with Various Alkyl Chlorides in Liquefied Noble Gases

Mid-infrared spectra (4000-400 cm-1) of mixtures of HCl with ethyl-d5, n-propyl, isopropyl-d7, or tert-butyl chloride, dissolved in liquefied argon (95-117 K) and liquefied krypton (122-148 K) have been investigated.In all cases the formation of a 1:1 van der Walls molecule between HCl and the alkyl chloride was observed.At gigher concentrations, a new absorption band, due to a 1:2 complex (RCl)*(HCl)2 was found.The association enthalpy in liquefied argon was determined to be -9.8 +/- 0.6 kJ mol-1 for C2D5Cl*HCl, -10.0 +/- 0.5 kJ mol-1 for gauche-n-C3H7Cl*HCl and -10.8 +/- 0.5 kJ mol-1 for iso-C3D7Cl*HCl.The ΔH0 for the C2D5Cl*HCl species in liquefied krypton was determined to be -9.4 +/- 0.5 kJ mol-1.For the formation of the 1:2 complex from the 1:1 complex and hydrogen chloride, the ΔH0 was determined to be -3.7 +/- 0.4 kJ mol-1 for the ethyl-d5 chloride complex and -4.5 +/- 0.3 kJ mol-1 for the isopropyl-d7 chloride complex.

Orientational Behaviour of Phosphonic Acid Dialkyl Esters in Nematic and Smectic Phases of Pentoxy-benzylidene-hexylaniline Studied by 1H, 2H, and 31P NMR

The orientational behaviour of a variety of phosphonic acid diesters dissolved in different liquid crystalline phases of pentoxy-benzylidene-hexylaniline was studied.For the complete determination of the orientational ordering of the phosphonate segment, partially deuterated esters were synthesized and a combination of 31P, 2H and 1H NMR was used.For solutions of hexane phosphonic diethyl ester dissolved in the nematic and SA phases, the order parameter, S33 increases from 0.22 to 0.42 with a biaxiality of 0.1.The CH2P(O)O2 segment is in the trans-conformation and the S33 axis makes an angle of 22 deg with the P=O bond.In the SB phases the value of S33 of the phosphonate segment decreases dramatically to a value of 0.1 in contrast to that of the molecules of the matrix.The reason is that the solute molecules are excluded from the more ordered aromatic region and are forced into the less-ordered hydrocarbon chain region of the matrix.In the SG phase, a phase separation occurs.In diethyl esters with n-alkyl substituents, S33 increases with the chain length of the substituent.Keywords: spin labels, nematic ordering, smectic ordering, phosphonic acid derivatives, NMR.