Methyl Isocyanate

Base Information

• Chemical Name: Methyl Isocyanate
• CAS No.: 624-83-9
• Molecular Formula: C2H3 N O
• Molecular Weight: 57.0519
• Hs Code.: 2929109000
• European Community (EC) Number: 210-866-3
• ICSC Number: 0004
• NSC Number: 64323
• UN Number: 2480
• UNII: C588JJ4BV9
• DSSTox Substance ID: DTXSID1023786
• Nikkaji Number: J1.680B
• Wikipedia: Methyl_isocyanate
• Wikidata: Q410431
• NCI Thesaurus Code: C163676
• Pharos Ligand ID: Z9M7VRWKW195
• Metabolomics Workbench ID: 60381
• ChEMBL ID: CHEMBL1608558
• Mol file: 624-83-9.mol

Synonyms:methyl isocyanate;methylisocyanate

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Chemical Property of Methyl Isocyanate

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 531mmHg at 25°C
• Melting Point: -80 ºC
• Refractive Index: 1.3419
• Boiling Point: 39 ºC
• Flash Point: -18 ºC
• PSA: 29.43000
• Density: 0.88 g/cm³
• LogP: -0.04800
• Water Solubility.: 10 wt % at 15 °C (NIOSH, 1997)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 57.021463719
• Heavy Atom Count: 4
• Complexity: 44
• Transport DOT Label: Poison Inhalation Hazard Flammable Liquid

Purity/Quality:

Safty Information:

• Pictogram(s): Flammable, dangerous fire risk. Toxic by skin absorption and a strong irritant. TLV: 0.02 ppm.
• Hazard Codes: F+,T+
• Statements: 12-24/25-26-37/38-41-42/43-63
• Safety Statements: 26-27/28-36/37/39-45-63-28-27

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Monoisocyanates
• Canonical SMILES: CN=C=O
• Recent ClinicalTrials: Clinical Trial With Donor Modified Immune Cells in Living Donor Kidney Transplantation
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation of the vapour may cause lung oedema. Inhalation may cause asthma-like reactions. Exposure could cause death. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. The substance may have effects on the respiratory tract. Causes toxicity to human reproduction or development.
• Description: Methyl isocyanate (MIC) is an organic compound with the molecular formula CH3NCO. MIC is an extremely toxic, colorless, highly flammable liquid that evaporates quickly when exposed to the air and has a sharp, strong odor. It is hazardous to human health, and was involved in the Bhopal disaster in December 1984, which resulted in the deaths of more than 2250 individuals, with another 50 000 incapacitated, and about 100 000 treated in area hospitals.
• Physical properties: Clear, colorless, very flammable, posionous liquid with a sharp, unpleasant, penetrating odor. Odor threshold concentration is 2.1 ppm (quoted, Amoore and Hautala, 1983).
• Uses: In organic synthesis; in manufacture of carbamate pesticides. Methyl isocyanate is used primarily in making pesticides and herbicides such as carbaryland aldicarb. It is also used to a lesserextent to produce plastics and polyurethanefoams. Methyl isocyanate was attributed tothe deaths of more than 3000 people inBhopal, India, in a very tragic industrial accident during the 1980s. Production of polyurethane foams and plastics; chemical intermediate

Technology Process of Methyl Isocyanate

There total 118 articles about Methyl 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%

N-methyl-N-trimethylsilylcarbamic acid trimethylsilyl ester (51041-97-5) → methyl isocyanate (624-83-9)

Guidance literature:

N-methyl-N-trimethylsilylcarbamic acid trimethylsilyl ester; With phosgene; at 10 - 20 ℃; for 1h; under 760.051 Torr;

at 50 ℃;

DOI:10.1016/j.mencom.2017.01.033

Reference yield: 97.9%

phosgene (75-44-5) + methylamine (74-89-5) → methyl isocyanate (624-83-9)

Guidance literature:

at 330 ℃; Temperature;

Reference yield: 89.0%

dimethyl 1,2-dimethyl-3-oxo-5-phenyl-2-azabicyclo<2.2.2>octa-5,7-diene-7,8-dicarboxylate (72248-88-5) → dimethyl 5-methyl-[1,1'-biphenyl]-3,4-dicarboxylate (81569-72-4) + methyl isocyanate (624-83-9)

Guidance literature:

With dimethyl acetylenedicarboxylate; In acetonitrile; at 145 ℃; for 14h;

upstream raw materials:

diazomethane

diethyl ether

cyanic acid

nitrourea

Downstream raw materials:

methyl N-methylcarbamate

1-methylcarbamoylhydantoin

methabenzthiazuron

N-Methyl-N'-(4-tolyl)harnstoff

Refernces

• 1、 Lu, Zhou,Hebert, Vincent R.,Miller, Glenn C.. "Gas-phase reaction of methyl isothiocyanate and methyl isocyanate with hydroxyl radicals under static relative rate conditions". . p. 1792 - 1795. Retrieved 2014.
• 2、 Borduas, Nadine,Da Silva, Gabriel,Murphy, Jennifer G.,Abbatt, Jonathan P.D.. "Experimental and theoretical understanding of the gas phase oxidation of atmospheric amides with OH radicals: Kinetics, products, and mechanisms". . p. 4298 - 4308. Retrieved 2015.
• 3、 -. "METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION". Paragraph 0361. . Retrieved 2021/11/20.
• 4、 -. "POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS". Paragraph 0240. . Retrieved 2018/10/11.