2-Iodophenyl isocyanate

Base Information

• Chemical Name: 2-Iodophenyl isocyanate
• CAS No.: 128255-31-2
• Molecular Formula: C7H4 I N O
• Molecular Weight: 245.019
• Hs Code.: 2929100090
• European Community (EC) Number: 624-060-8
• DSSTox Substance ID: DTXSID20369883
• Nikkaji Number: J2.021.030C
• Mol file: 128255-31-2.mol

Synonyms:2-Iodophenyl isocyanate;128255-31-2;1-iodo-2-isocyanatobenzene;2-Iodophenylisocyanate;Benzene, 1-iodo-2-isocyanato-;1-iodo-2-isocyanato-benzene;SCHEMBL93319;2-Iodophenyl isocyanate, 97%;DTXSID20369883;VVNMGFXOVZRKQF-UHFFFAOYSA-N;GEO-01601;MFCD00673044;AKOS000170632;FT-0612684;EN300-146812;W-200097

Chemical Property of 2-Iodophenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.0238mmHg at 25°C
• Refractive Index: n20/D 1.633(lit.)
• Boiling Point: 248.8°Cat760mmHg
• Flash Point: 104.3°C
• Density: 1.79g/cm³
• Storage Temp.: ?20°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.93376
• Heavy Atom Count: 10
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-Iodophenyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N=C=O)I

Technology Process of 2-Iodophenyl isocyanate

There total 5 articles about 2-Iodophenyl isocyanate 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: 100.0%

bis(trichloromethyl) carbonate (32315-10-9) + 2-iodophenylamine (615-43-0) → 2-iodophenyl isocyanate (128255-31-2)

Guidance literature:

for 12h; Reflux;

DOI:10.1016/j.tet.2020.131634

Reference yield: 92.0%

2-Iodobenzoic acid (88-67-5) → 2-iodophenyl isocyanate (128255-31-2)

Guidance literature:

With diphenyl phosphoryl azide;

DOI:10.3987/COM-98-8111

Reference yield: 78.0%

phosgene (75-44-5) + 2-iodoaniline hydrochloride (128414-04-0,131152-15-3) → 2-iodophenyl isocyanate (128255-31-2)

Guidance literature:

In toluene; for 13h; Heating;

DOI:10.1021/jm970394d

upstream raw materials:

2-iodophenylamine

trichloromethyl chloroformate

phosgene

2-iodoaniline hydrochloride

Downstream raw materials:

(2-Iodo-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester; hydrochloride

4-Chloro-2-[3-(2-iodo-phenyl)-ureido]-benzoic acid methyl ester

2-[3-(2-Iodo-phenyl)-ureido]-4-nitro-benzoic acid ethyl ester

2-[3-(2-Iodo-phenyl)-ureido]-4-trifluoromethyl-benzoic acid methyl ester