4-Iodophenyl isocyanate

Base Information

• Chemical Name: 4-Iodophenyl isocyanate
• CAS No.: 15845-62-2
• Molecular Formula: C7H4INO
• Molecular Weight: 245.019
• Hs Code.: 2929109000
• European Community (EC) Number: 627-308-3
• DSSTox Substance ID: DTXSID60392135
• Nikkaji Number: J2.053.276I
• Mol file: 15845-62-2.mol

Synonyms:4-Iodophenyl isocyanate;15845-62-2;1-iodo-4-isocyanatobenzene;4-iodophenylisocyanate;Benzene, 1-iodo-4-isocyanato-;1-iodo-4-isocyanato-benzene;p-iodophenylisocyanate;SCHEMBL93320;Benzene,1-iodo-4-isocyanato-;4-Iodophenyl isocyanate, 97%;DTXSID60392135;KVMKUTIUJGYHBA-UHFFFAOYSA-N;GEO-03883;MFCD00013875;AKOS005207128;AS-59984;FT-0618793;EN300-148306;F87146;J-009501

Chemical Property of 4-Iodophenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.0248mmHg at 25°C
• Melting Point: 44-48 °C(lit.)
• Refractive Index: 1.636
• Boiling Point: 248 °C at 760 mmHg
• Flash Point: 103.8 °C
• PSA: 29.43000
• Density: 1.79 g/cm³
• LogP: 2.25850
• Storage Temp.: 2-8°C
• Sensitive.: Moisture & Light Sensitive
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.93376
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

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

4-Iodophenyl isocyanate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C=O)I
• Uses: 4-Iodophenyl isocyanate may be used in the preparation of:silicon-stereogenic silicon-bridged arylpyridinonesN-(4-iodophenyl)cholesteryl-3-carbamateN-(4-iodophenyl)pregnenolone-3-carbamate

Technology Process of 4-Iodophenyl isocyanate

There total 6 articles about 4-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) + p-aminoiodobenzene (540-37-4) → 1-iodo-4-isocyanatobenzene (15845-62-2)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.bmc.2013.03.075

Reference yield: 55.0%

phosgene (75-44-5) + p-aminoiodobenzene (540-37-4) → 1-iodo-4-isocyanatobenzene (15845-62-2)

Guidance literature:

With triethylamine; In toluene; for 0.5h; Heating;

DOI:10.1039/a904001c

Reference yield:

p-aminoiodobenzene (540-37-4) + trichloromethyl chloroformate (503-38-8) → 1-iodo-4-isocyanatobenzene (15845-62-2)

Guidance literature:

With pyrographite; In ethyl acetate; 1.) RT, 5 min, 2.) reflux;

DOI:10.1021/jm950476

upstream raw materials:

phosgene

p-aminoiodobenzene

trichloromethyl chloroformate

bis(trichloromethyl) carbonate

Downstream raw materials:

N,N-diethyl-N′-(4-iodophenyl)urea

(4-Iodo-phenyl)-carbamic acid 3-methylsulfanylcarbonylamino-phenyl ester

C₈H₁₀IN₃O

N-4-iodophenyl-N'-4-pyridylurea

Refernces

• 1、 Akwii, Racheal,Alvina, Karina,Ashraf-Uz-Zaman, Md,Farshbaf, Mohammad Jodeiri,German, Nadezhda A.,Kallem, Raja Reddy,Mikelis, Constantinos M.,Putnam, William,Sajib, Md Sanaullah,Shahi, Sadisna,Trippier, Paul C.,Wang, Wei,Zhang, Ruiwen. "Design, synthesis and structure-activity relationship study of novel urea compounds as FGFR1 inhibitors to treat metastatic triple-negative breast cancer". . . Retrieved 2020/10/12.
• 2、 Ruan, Banfeng,Zhang, Yuezhou,Tadesse, Solomon,Preston, Sarah,Taki, Aya C.,Jabbar, Abdul,Hofmann, Andreas,Jiao, Yaqing,Garcia-Bustos, Jose,Harjani, Jitendra,Le, Thuy Giang,Varghese, Swapna,Teguh, Silvia,Xie, Yiyue,Odiba, Jephthah,Hu, Min,Gasser, Robin B.,Baell, Jonathan. "Synthesis and structure-activity relationship study of pyrrolidine-oxadiazoles as anthelmintics against Haemonchus contortus". supporting information. . Retrieved 2020/02/04.