Iodobenzene-d5

Base Information

• Chemical Name: Iodobenzene-d5
• CAS No.: 7379-67-1
• Molecular Formula: C6D5I
• Molecular Weight: 208.971
• European Community (EC) Number: 664-252-9
• DSSTox Substance ID: DTXSID10477744
• Mol file: 7379-67-1.mol

Synonyms:Iodobenzene-d5;7379-67-1;1,2,3,4,5-pentadeuterio-6-iodobenzene;1-iodo(?H?)benzene;SCHEMBL1332678;HY-Y0747S;Iodobenzene-d5, 98 atom % D;DTXSID10477744;MFCD00190467;AKOS024264237;CS-0568473

Chemical Property of Iodobenzene-d5

Chemical Property:

• Melting Point: -29 °C(lit.)
• Refractive Index: n20/D 1.6161(lit.)
• Boiling Point: 188 °C(lit.)
• Flash Point: 74 °C
• PSA: 0.00000
• Density: 1.868 g/mL at 25 °C
• LogP: 2.29120
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 208.97498
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

98.5% ^*data from raw suppliers

Iodobenzene-d5 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-41-20
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)I
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])I)[2H])[2H]

Technology Process of Iodobenzene-d5

There total 3 articles about Iodobenzene-d5 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: 86.0%

benzene-d6 (1076-43-3) → d5-iodobenzene (7379-67-1)

Guidance literature:

With iodine; silver trifluoromethanesulfonate; In dichloromethane; for 0.5h; Darkness;

DOI:10.1002/anie.201710049

Reference yield:

iodobenzene (591-50-4) → d5-iodobenzene (7379-67-1)

Guidance literature:

With trifluoroacetic acid-d₁; [Rh(bdmpza)Cl₃](-)Na(+); silver trifluoromethanesulfonate; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1021/om2012419

Reference yield:

→ d5-iodobenzene (7379-67-1)

Guidance literature:

Benzol-d(6), Iod, Iodsaeure, Essigsaeure-d(4), Schwefelsaeure-d(2), D2O;

DOI:10.1002/jlcr.2590060212

upstream raw materials:

benzene-d6

iodobenzene

Downstream raw materials:

1-[2-(d5-phenylethynyl)phenyl]-3-trimethylsilyl-2-propyn-1-ol

triphenylphosphine-d15

1-[2-(d5-phenylethynyl)phenyl]-2-propyn-1-one

1-[2-(d5-phenylethynyl)phenyl]-3-trimethylsilyl-2-propyn-1-one