2-sec-Butylphenyl isocyanate

Base Information

• Chemical Name: 2-sec-Butylphenyl isocyanate
• CAS No.: 480439-17-6
• Molecular Formula: C11H13NO
• Molecular Weight: 175.22702
• Hs Code.: 2929109000
• DSSTox Substance ID: DTXSID50409009
• Mol file: 480439-17-6.mol

Synonyms:2-sec-Butylphenyl isocyanate;480439-17-6;1-butan-2-yl-2-isocyanatobenzene;SCHEMBL3836353;DTXSID50409009;2-sec-Butylphenyl isocyanate,97%;1-(sec-Butyl)-2-isocyanatobenzene;2-sec-Butylphenyl isocyanate, 97%

Chemical Property of 2-sec-Butylphenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.044mmHg at 25°C
• Refractive Index: n20/D 1.5200(lit.)
• Boiling Point: 219-220 °C(lit.)
• Flash Point: 195 °F
• PSA: 29.43000
• Density: 0.999 g/mL at 25 °C(lit.)
• LogP: 3.16740
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

98%Min ^*data from raw suppliers

2-SEC-BUTYLPHENYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC=CC=C1N=C=O

Technology Process of 2-sec-Butylphenyl isocyanate

There total 1 articles about 2-sec-Butylphenyl 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-sec-butylaniline (55751-54-7,196805-87-5) → 2-sec-butylphenyl isocyanate (480439-17-6)

Guidance literature:

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

DOI:10.1016/j.bmc.2009.09.051

Reference yield: 100.0%

N-benzyloxyamine (622-33-3) + 2-sec-butylphenyl isocyanate (480439-17-6) → 1-(benzyloxy)-3-(2-sec-butylphenyl)urea (1400979-84-1)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1021/ml300212a

Reference yield: 30.0%

2-sec-butylphenyl isocyanate (480439-17-6) + 5-Nitro-2-aminophenol (121-88-0) → 1-(2-sec-butylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea (1202526-38-2)

Guidance literature:

In tetrahydrofuran; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bmc.2009.09.051

upstream raw materials:

phosgene

2-sec-butylaniline

Downstream raw materials:

1-(2-sec-butylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea

1-(benzyloxy)-3-(2-sec-butylphenyl)urea

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

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 480439-17-6 2-SEC-BUTYLPHENYL ISOCYANATE 97

Send

Send

Metric Ton KG G Pound L ML

Send

Send