Iodoform-d

Base Information

• Chemical Name: Iodoform-d
• CAS No.: 2787-27-1
• Molecular Formula: CD I3
• Molecular Weight: 394.725
• European Community (EC) Number: 623-857-8
• DSSTox Substance ID: DTXSID10584109
• Nikkaji Number: J2.402.169F
• Wikidata: Q82475742
• Mol file: 2787-27-1.mol

Synonyms:Iodoform-d;2787-27-1;deuterio(triiodo)methane;Iodoform-d, 99 atom % D;deuteroiodoform;Triiodo(~2~H)methane;DTXSID10584109;AKOS015913354;J-016906

Chemical Property of Iodoform-d

Chemical Property:

• Vapor Pressure: 0.0339mmHg at 25°C
• Melting Point: 120-123 °C(lit.)
• Refractive Index: 1.85
• Boiling Point: 250.7°C at 760 mmHg
• Flash Point: 129°C
• PSA: 0.00000
• Density: 3.873g/cm³
• LogP: 2.57500
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 394.7275
• Heavy Atom Count: 4
• Complexity: 8

Purity/Quality:

97% ^*data from raw suppliers

IODOFORM-D 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(I)(I)I
• Isomeric SMILES: [2H]C(I)(I)I

Technology Process of Iodoform-d

There total 4 articles about Iodoform-d 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:

iodoform (75-47-8) → <2H>-triiodomethane (2787-27-1)

Guidance literature:

With 1,4-dioxane; water-d2;

DOI:10.1021/ja01563a037

Reference yield:

acetone (67-64-1) → <2H>-triiodomethane (2787-27-1)

Guidance literature:

With deuteriated sodium hydroxide; iodine; water-d2;

Reference yield:

[(2)H6]acetone (666-52-4) → <2H>-triiodomethane (2787-27-1)

Guidance literature:

With deuteriated sodium hydroxide; potassium triiodide; water-d2; Yield given;

DOI:10.1039/p19960000789

upstream raw materials:

iodoform

acetone

[⁽²⁾H₆]acetone

Downstream raw materials:

deuterofluoroform