7439-87-4

Basic information

• Product Name: IODOETHANE-2,2,2-D3
• Synonyms: IODOETHANE-2,2,2-D3;IODOETHANE-2,2,2-D3, 98 ATOM % D;ethyl-2,2,2-d3iodide;Iodoethane-d3;Iodoethane-d3 (Copper Wire Stabilized);1,1,1-trideuterio-2-iodoethane
• CAS NO: 7439-87-4
• Molecular Formula: C₂H₅I
• Molecular Weight: 158.98
• Mol File: 7439-87-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: -108 °C(lit.)
• Boiling Point: 69-73 °C(lit.)
• Flash Point: 72℃
• Appearance: colourless liquid
• Density: 1.987 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
• Stability: Stable. Incompatible with strong bases, magnesium, strong oxidizing agents. Protect from light, moisture, air.
• CAS DataBase Reference: IODOETHANE-2,2,2-D3(CAS DataBase Reference)
• NIST Chemistry Reference: IODOETHANE-2,2,2-D3(7439-87-4)
• EPA Substance Registry System: IODOETHANE-2,2,2-D3(7439-87-4)

Safety Data

• Hazard Codes: T,Xn
• Statements: 23/24/25-42/43-63-53-36/37/38-20
• Safety Statements: 23-26-36/37/39-45-36/37
• WGK Germany: 3
• Hazardous Substances Data: 7439-87-4(Hazardous Substances Data)

Usage

Chemical Properties

colourless liquid

Uses

Different sources of media describe the Uses of 7439-87-4 differently. You can refer to the following data:
1. Iodoethane-d3 is a compound used in variety of organic chemical reactions including the synthesis if disubstituted α-amino acids through alkylation reaction.
2. Isotope labelled Iodoethane, a compound used in variety of organic chemical reactions including the synthesis if disubstituted α-amino acids through alkylation reaction.

InChI:InChI=1/C2H5I/c1-2-3/h2H2,1H3/i1D3

Upstream product

• 1759-87-1 2,2,2-trideuteroethanol 

Downstream Products

• 141305-23-9 C₁₂H₁₀⁽²⁾H₆O 
• 55577-88-3 <3,3,3-2H3>propionic acid 

Relevant articles and documents

Unimolecular Reactions of Isolated Organic Ions: Reactions of the Immonium Ions CH2=N+(CH3)CH(CH3)2, CH2=N+(CH3)CH2CH2CH3 and CH2=N+(CH2CH2CH3)2

The reactions of metastable CH2=N+(CH3)C3H7 immonium ions have been investigated by means of 2H-labelling experiments and kinetic energy release measurements.Loss of C3H6, with specific β-H transfer, is the sole channel for dissociation of CH2=N+(CH3)CH(CH3)2.This process gives rise to a Gaussian metastable peak.The isomeric ion, CH2=N+(CH3)CH2CH2CH3, also expels C3H6; however, both α-H and γ-H as well as β-H transfer occurs in this case, and the reaction proceeds with an increased kinetic energy release.The role of ion-neutral complexes in C3H6 loss from CH2=N+(CH3)C3H7 ions is discussed.In addition, CH2=N+(CH3)CH2CH2CH3 eliminates C2H4.This fragmentation yields a broad dish-topped metastable peak, corresponding to a very large kinetic energy release (T1/2 ca. 73 kJ mol-1), and it involves specific and unidirectional γ-H transfer.A potential energy profile summarising the reactions of CH2=N+(CH3)CH2CH2CH3 and CH2=N+(CH3)CH(CH3)2 is constructed.The mechanisms by which immonium ions of this general class eliminate C3H6 and C2H4 have been further probed by studying the behaviour of the higher homologue, CH2=N+(CH2CH2CH3)2.The mechanistic conclusions derived from this work are found to be in excellent qualitative agreement with those of previous studies.

The Mechanism of Ethylene Elimination from the Oxonium Ions CH3CH2CH=O+CH2CH3 and (CH3)2C=O+CH2CH3

The reactions of the metastable oxonium ions CH3CH2CH=O+CH2CH3 and (CH3)2C=O+CH2CH3 are reported and discussed.Various mechanisms for ethylene elimination, which is the principal dissociation route for these ions, are considered.It is shown by means of 2H-labelling experiments and analysis of collision-induced dissociation spectra that routes involving ion-neutral complexes pre-empt 'conventional' mechanisms for these processes.In contrast, the behaviour of the lower homologues CH3CH2CH=OR+ and (CH3)2C=OR+ (R = H, CH3) is consistent with the operation of 'conventional' mechanisms for ethylene expulsion.This contrast is interpreted in energetic terms.The significance of these results for the chemistry of homologous and analogous 'onium' ions containing a Z+-R function (Z = O, S, NH, NCH3; R= CnH2n+1, n 2) is explained.