2-Propylphenyl isocyanate

Base Information

• Chemical Name: 2-Propylphenyl isocyanate
• CAS No.: 190774-57-3
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 29291000
• European Community (EC) Number: 623-678-5
• DSSTox Substance ID: DTXSID60369887
• Mol file: 190774-57-3.mol

Synonyms:2-Propylphenyl isocyanate;190774-57-3;1-isocyanato-2-propylbenzene;2-Propylphenylisocyanate;2-n-Propylphenyl isocyanate;Benzene, 1-isocyanato-2-propyl-;SCHEMBL93143;2-Propylphenyl isocyanate, 98%;DTXSID60369887;NSGTVMQTRFUUSL-UHFFFAOYSA-N;GEO-02170;MFCD00673045;AKOS005259593;GS-0689;FT-0643799;EN300-270981;A813438;J-012319

Chemical Property of 2-Propylphenyl isocyanate

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0644mmHg at 25°C
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 0.97 g/cm³
• Flash Point: 81.6 °C
• PSA: 29.43000
• Density: 0.97 g/cm³
• LogP: 2.60640
• Storage Temp.: 0-6°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

2-PropylphenylIsocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 26-36/37/39-45-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=CC=C1N=C=O

Technology Process of 2-Propylphenyl isocyanate

There total 1 articles about 2-Propylphenyl 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:

phosgene (75-44-5) + 2-propylaniline (1821-39-2) → 2-propylphenyl isocyanate (190774-57-3)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; toluene; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2009.09.051

Reference yield: 100.0%

2-propylphenyl isocyanate (190774-57-3) + N-benzyloxyamine (622-33-3) → 1-(benzyloxy)-3-(2-propylphenyl)urea (1400979-83-0)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1021/ml300212a

Reference yield: 45.0%

2-propylphenyl isocyanate (190774-57-3) + 3-(1-phenyl-ethylamino)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (642491-96-1) → 1-(9-oxo-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazolin-3-yl)-1-(1-phenyl-ethyl)-3-(2-n-propyl-phenyl)-urea

Guidance literature:

In dichloromethane; at 20 ℃; for 20h;

upstream raw materials:

phosgene

2-propylaniline

Downstream raw materials:

1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea

1-(benzyloxy)-3-(2-propylphenyl)urea

1-(benzyloxy)-4-propyl-1H-benzo[d]imidazol-2(3H)-one