Dodecyl isocyanate

Base Information

• Chemical Name: Dodecyl isocyanate
• CAS No.: 4202-38-4
• Deprecated CAS: 2318852-12-7
• Molecular Formula: C13H25NO
• Molecular Weight: 211.348
• European Community (EC) Number: 224-111-0
• DSSTox Substance ID: DTXSID6063351
• Nikkaji Number: J27.133K
• Mol file: 4202-38-4.mol

Synonyms:Dodecyl isocyanate;4202-38-4;1-Isocyanatododecane;n-dodecylisocyanate;Dodecane, 1-isocyanato-;1-dodecyl isocyanate;EINECS 224-111-0;MFCD00041744;Dodecylisocyanate;lauryl isocyanate;n-dodecyl isocyanate;1-Isocyanatododecane #;Dodecyl isocyanate, 99%;Isocyanic Acid Dodecyl Ester;SCHEMBL27345;1-Dodecyl isocyanate, 98%;DTXSID6063351;GEO-01277;AKOS015901165;GS-3380;D3348;FT-0627394;D78449;Q-201035

Chemical Property of Dodecyl isocyanate

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Vapor Pressure: 0.0479mmHg at 25°C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 244.3 °C at 760 mmHg
• Flash Point: 102.2 °C
• PSA: 29.43000
• Density: 0.877g/cm³
• LogP: 4.24310
• Storage Temp.: 0-10°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: negligible soluble
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 211.193614421
• Heavy Atom Count: 15
• Complexity: 162

Purity/Quality:

99.9% ^*data from raw suppliers

Dodecyl Isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-41-42
• Safety Statements: 26-36/37/39-45-37/39-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCN=C=O
• Uses: 1-Dodecyl isocyanate, is incorporated in AZT analogue preparation through it use ine the synthesis of carbodiimides from phosphinimines.

Technology Process of Dodecyl isocyanate

There total 16 articles about Dodecyl 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: 99.0%

dodecyl nitrocyanamide → dodecyl isocyanate (4202-38-4)

Guidance literature:

at 95 ℃; for 4h;

Reference yield: 97.0%

tetrabutylammonium isocyanate (39139-87-2) + 1-dodecylthiol (112-55-0) → dodecyl isocyanate (4202-38-4)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 9h; Heating;

DOI:10.1055/s-2005-869906

Reference yield: 60.0%

n-Dodecylamine (124-22-1) + bis(trichloromethyl) carbonate (32315-10-9) → dodecyl isocyanate (4202-38-4)

Guidance literature:

With sodium carbonate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2005.04.010

upstream raw materials:

phosgene

dodecylammonium chloride

n-Dodecylamine

urea

Downstream raw materials:

C₂₂H₃₆N₂O₂

1,3,5-tris[3-(3-dodecylureido)phenoxymethyl]-2,4,6-triethylbenzene

4-(dodecylcarbamoyloxy)benzoic acid methyl ester

dodecylcarbamic acid 4-(4,5-dihydrothiazol-2-yl)phenyl ester