3652-82-2

Basic information

• Product Name: IODOETHANE-1,1-D2
• Synonyms: IODOETHANE-1,1-D2;IODOETHANE-1,1-D2, 98 ATOM % D;ethyl-1,1-d2iodide;Iodoethane--d2;Ethane-1,1-d2, 1-iodo-(6CI,7CI,8CI,9CI)
• CAS NO: 3652-82-2
• Molecular Formula: C₂H₅I
• Molecular Weight: 157.98
• Mol File: 3652-82-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: -108 °C(lit.)
• Boiling Point: 69-73 °C(lit.)
• Flash Point: 72℃
• Appearance: /
• Density: 1.974 g/mL at 25 °C
• Vapor Pressure: 128mmHg at 25°C
• Refractive Index: n20/D 1.509(lit.)
• Storage Temp.: 0-6°C
• Solubility: Chloroform, Methanol (Slightly)
• CAS DataBase Reference: IODOETHANE-1,1-D2(CAS DataBase Reference)
• NIST Chemistry Reference: IODOETHANE-1,1-D2(3652-82-2)
• EPA Substance Registry System: IODOETHANE-1,1-D2(3652-82-2)

Safety Data

• Hazard Codes: T,Xn
• Statements: 23/24/25-42/43-63-36/37/38-22
• Safety Statements: 23-26-36/37/39-45-36/37
• WGK Germany: 3
• Hazardous Substances Data: 3652-82-2(Hazardous Substances Data)

Usage

Uses

Iodoethane-1,1-d2 is a useful reagent in synthesis of 1,4-benzoquinones.

InChI:InChI=1/C2H5I/c1-2-3/h2H2,1H3/i2D2

Upstream product

• 1859-09-2 ethanol-1,1-d2 
• 122-79-2 Phenyl acetate 

Downstream Products

• 108746-36-7 (4-tert-butyl-phenyl)-(1,1-dideuterio-ethyl)-ether 
• 118070-34-1 2,3-Dimethoxy-4-(ethoxy-1,1-d2)-4-(3-phenyl-1-propynyl)-2-cyclobuten-1-one 
• 141305-22-8 C₁₂H₁₂⁽²⁾H₄O 

Relevant articles and documents

Deuterium Isotope Effects and the Mechanism of Kinetic Enolate Formation

3-Methyl-3-pentanone, 2-methyl-3-pentanone-2-d, 2-methyl-3-pentanone-4,4-d2, 3-methyl-2-butanone, and 3-methyl-2-butanone-1,1,1-d3 have been treated with lithium dialkylamide (LDA, LDEA, and LTMP) in the dipolar aprotic solvents THF and DME, with and without added HMPA.Ratios of the product enolates were determined by quenching with trimethylsilyl chloride followed by GC analysis.Isotope effects calculated from these product ratios are all appreciable, kH/kD = 2.3-5.9 at 0 deg C, but below the "maximum" of ca. 8.4 expected at this temperature.A reactant-like transition state is proposed.The temperature dependences of the isotope effects are abnormal (AaH/AaD = 1.6-3.2) without, but normal with, HMPA (AaH/AaD = 0.35-1.0).It is suggested that two or more different base species are active in proton removal and that the concentrations of these base species depend on temperature and solvent.Variations in the E/Z and regioisomer ratios are discussed in terms of models previously advanced by Ireland, Narula, and Dauben.It is concluded that different factors govern the E/Z and regioisomer ratios and that none of the models accounts satisfactorily for all of the observed variations.