Iodoethane-1,1-d2

Base Information

• Chemical Name: Iodoethane-1,1-d2
• CAS No.: 3652-82-2
• Molecular Formula: C2H3D2I
• Molecular Weight: 157.98
• European Community (EC) Number: 623-327-6
• DSSTox Substance ID: DTXSID40480509
• Nikkaji Number: J947.159F
• Wikidata: Q82315316
• Mol file: 3652-82-2.mol

Synonyms:Iodoethane-1,1-d2;3652-82-2;1,1-dideuterio-1-iodoethane;Iodoethane-1,1-d2 (stabilized with copper);Ethyl-1,1-d2 iodide;1-iodo(1,1-?H?)ethane;SCHEMBL509360;DTXSID40480509;AKOS015913079;D99166;Iodoethane-1,1-d2, >=98 atom % D, >=99% (CP), contains copper as stabilizer

Chemical Property of Iodoethane-1,1-d2

Chemical Property:

• Vapor Pressure: 128mmHg at 25°C
• Melting Point: -108 °C(lit.)
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 72.8 °C at 760 mmHg
• Flash Point: 21.1 °C
• PSA: 0.00000
• Density: 1.965 g/cm³
• LogP: 1.44130
• Storage Temp.: 0-6°C
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 157.95615
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Iodoethane-1,1-d2(StabilizedwithCopper) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• 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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCI
• Isomeric SMILES: [2H]C([2H])(C)I
• Uses: Iodoethane-1,1-d2 is a useful reagent in synthesis of 1,4-benzoquinones.

Technology Process of Iodoethane-1,1-d2

There total 3 articles about Iodoethane-1,1-d2 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 54.0%

ethanol-1,1-d2 (1859-09-2) → 1,1-dideuterio-1-iodo-ethane (3652-82-2)

Guidance literature:

With methyltriphenoxyphosphonium iodide; at 25 ℃; for 1h;

DOI:10.1021/jo00268a037

Reference yield:

Phenyl acetate (122-79-2,34474-31-2) → 1,1-dideuterio-1-iodo-ethane (3652-82-2)

Guidance literature:

With lithium aluminium deuteride; diethyl ether; Hydrolysen und Behandeln mit Jod und Phosphor in Octan;

DOI:10.1021/ja01604a036

Reference yield:

→ 1,1-dideuterio-1-iodo-ethane (3652-82-2)

Guidance literature:

DOI:10.1021/ja00480a030

upstream raw materials:

Phenyl acetate

ethanol-1,1-d2

Downstream raw materials:

(4-tert-butyl-phenyl)-(1,1-dideuterio-ethyl)-ether

2,3-Dimethoxy-4-(ethoxy-1,1-d2)-4-(3-phenyl-1-propynyl)-2-cyclobuten-1-one

C₁₂H₁₂⁽²⁾H₄O