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Methylisocyanat
Methyl isocyanate · Isocyanatomethane · CH3NCO · tl1450 · TL 1450 · WLN: OCN1 · Isocyanamethane · methylisocyanat

Identifikatoren & physikalische Daten
| CAS No. | 624-83-9 |
|---|---|
| Summenformel | C2H3NO |
| Durchschnittliche Molmasse | 57,05 g/mol |
| Monoisotopische Masse | 57,02146372 g/mol |
| SMILES | CN=C=O |
| InChIKey | HAMGRBXTJNITHG-UHFFFAOYSA-N |
| PubChem CID | 12228 |
| ChEMBL | CHEMBL1608558 |
| ChEBI | CHEBI:59059 |
| EC No. | 210-866-3 |
| DTXSID | DTXSID1023786 |
| Lokaler Name | Methylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 44 |
| Geruch | Sharp, unpleasant odor |
| Dichte | 0.9599 at 68 °F (EPA, 1998) - Less dense than waterwill float0.9230 g/cu cm at 27 °CIsocyanates...are highly reactive and undergo addition reactions across the carbon-nitrogen double bond of the NCO group. Reactions with alcohols, carboxylic acids, and amines have been widely exploited...The basis for the high reactivity of the isocyanates is the low electron density of the central carbon...Electron withdrawing or donating substituents alter the electrophilic nature of the isocyanate... /Isocyanates/Relative density (water = 1): 0.960.9588 @ 20°C |
| Color/Form | Colorless liquid |
| Löslichkeit | Decomposes (NTP, 1992)10 G/100 ML WATER AT 15 °CSolubility in water at 20 °C: reaction(59 °F): 10%10 wt % at 15 °C (NIOSH, 1997) |
| Corrosivity | Methyl isocyanate diffuses through polyethylene and attacks most elastomers (fluorocarbon resins are resistant). It is dangerous to use materials other than stainless steel, nickel, or glass/ceramic in contact with methyl isocyanate. In particular, do not use iron, steel, zinc, tin, copper, or their alloys. |
| Flammpunkt | 19 °F (EPA, 1998)-7 °C19 °F (-7 °C) (Closed cup)-7 °C c.c. |
| Siedepunkt | 102 °F at 760 mmHg (EPA, 1998)39.5 °C39 °C38.3 °C @760 [mm Hg]102-104 °F59.6℃ |
| Decomposition | The substance decomposes on contact with water. The substance decomposes rapidly on contact with acids and bases producing toxic gases (hydrogen cyanide, nitrogen oxides, carbon monoxide).When heated to decomposition it emits toxic fumes of /nitrogen oxides and hydrogen cyanide/. |
| Schmelzpunkt | -112 °F (EPA, 1998)-45 °C-80 °C-49 °F-45℃ |
| Dampfdichte | About twice as heavy as air (EPA, 1998) (Relative to Air)1.42 (AIR= 1)Relative vapor density (air = 1): 2 |
| Geruchsschwelle | Odor Threshold Low: 2.1 [ppm]Odor threshold from AIHAThe odor warning when the exposure limit value is exceeded is insufficient.Air: 2.1 uL/Lodor safety class E. E= less than 10% of attentive persons can detect the TLV. |
| Polymerization | The substance will polymerize when pure. The substance may polymerize due to heating and under the influence of metals and catalysts.... May polymerize explosively ... Uninhibited monomer vapor may form polymer in vents and other confined spaces ... |
| Dampfdruck | 348 at 20 °C (NIOSH, 1997) |
| Brechungsindex | 1.3419 |
| Aggregatzustand | Liquidaerosol |
| Merck | 13,6112 |
| Henry-Konstante | 1.3×10-2 mol/(m3Pa) at 25℃, Roberts and Liu (2019) |
| Dielektrizitätskonstante | 29.4(21℃) |
| Stabilität | Stable, but highly reactive. Highly flammable. Readily forms explosive mixtures with air. Note low boiling point, low flash point. |
| NIST chemische Informationen | Methane, isocyanato-(624-83-9) |
| EPA chemische Informationen | Methyl isocyanate (624-83-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]H301: Toxic if swallowed [Danger Acute toxicity, oral]H311: Toxic in contact with skin [Danger Acute toxicity, dermal]H315: Causes skin irritation [Warning Skin corrosion/irritation]H317: May cause an allergic skin reaction [Warning Sensitization, Skin]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H330: Fatal if inhaled [Danger Acute toxicity, inhalation]H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatorische Informationen | Chemical: Methane, isocyanato-Hazard Traits - Developmental ToxicityOcular ToxicityReproductive ToxicityRespiratory ToxicityAuthoritative List - CA TACsEC Annex VI Resp. Sens. - Cat. 1OEHHA RELsProp 65Report - regardless of intended function of ingredient in the productThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | IMAP assessments - Methane, isocyanato-: Human health tier II assessment |
| DOT-Kennzeichnung | Poison Inhalation Hazard Flammable Liquid |
Anwendungen & Verwendung
Beschreibung
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.
Verwenden
In organic synthesis; in manufacture of carbamate pesticides.