Ethyl isocyanate

Base Information

• Chemical Name: Ethyl isocyanate
• CAS No.: 109-90-0
• Deprecated CAS: 1025436-17-2
• Molecular Formula: C3H5NO
• Molecular Weight: 71.0788
• Hs Code.: 29291090
• European Community (EC) Number: 203-717-9
• NSC Number: 89687
• UN Number: 2481
• UNII: B02YQ4MIR0
• DSSTox Substance ID: DTXSID5059379
• Nikkaji Number: J53.650D
• Wikidata: Q18214960
• Mol file: 109-90-0.mol

Synonyms:ethyl isocyanate

Chemical Property of Ethyl isocyanate

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 4.34 psi ( 20 °C)
• Melting Point: <-50
• Refractive Index: n20/D 1.381(lit.)
• Boiling Point: 60 °C at 760 mmHg
• Flash Point: 23 °C
• PSA: 29.43000
• Density: 0.87 g/cm³
• LogP: 0.34210
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Insoluble
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 71.037113783
• Heavy Atom Count: 5
• Complexity: 53.9
• Transport DOT Label: Poison Inhalation Hazard Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Ethyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, T
• Hazard Codes: F,T
• Statements: 11-20/21-25-36/37/38-42
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Monoisocyanates
• Canonical SMILES: CCN=C=O
• Uses: Ethyl isocyanate is part of a group of isocyanates that react with primary and secondary amines to form urea derivatives and carbamates. Ethyl isocyanate (among other isocyanate compounds, such as toluene isocyanate) are also thought to be the most common cause of occupational asthma. Pharmaceutical and pesticide intermediate.

Technology Process of Ethyl isocyanate

There total 64 articles about Ethyl 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) + ethylamine (75-04-7,85404-22-4) → ethyl isocyanate (109-90-0)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.bmc.2013.03.075

Reference yield: 97.6%

phosgene (75-44-5) + ethylamine (75-04-7,85404-22-4) → ethyl isocyanate (109-90-0)

Guidance literature:

In toluene; at 320 - 340 ℃; under 37.5038 Torr; Temperature;

Reference yield: 89.0%

Ethyl isothiocyanate (542-85-8) → ethyl isocyanate (109-90-0)

Guidance literature:

With air; palladium dichloride; In 1,4-dioxane; Heating;

DOI:10.1055/s-1983-30455

upstream raw materials:

diazomethane

Diazoethan

diethyl ether

cyanic acid

Downstream raw materials:

4-benzyl-piperazine-1-carboxylic acid ethylamide

N'-ethyl-N-(4-chloro-phenyl)-N-[2]pyridyl-urea

N-acetyl-butyramide

N-ethyl-diacetamide

Refernces

• 1、 Mayer,E.. "-". . p. 462 - 468. Retrieved 1969.
• 2、 Feuer et al.. "-". . p. 1107. Retrieved 1958.
• 3、 Menschutkin. "-". . . Retrieved 1875.
• 4、 -. "SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF". . . Retrieved 2016/04/26.
• 5、 Liu, Dazhi,Tian, Zhen,Yan, Zhihui,Wu, Lixin,Ma, Yan,Wang, Quan,Liu, Wei,Zhou, Honggang,Yang, Cheng. "Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors". . p. 2960 - 2967. Retrieved 2013/07/28.