HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methylisothiocyanat
MIT · MIC · isothiocyanatomethane · MTC · MENCS · CH3NCS · MITC · TRK
Identifikatoren & physikalische Daten
| CAS No. | 556-61-6 |
|---|---|
| Summenformel | C2H3NS |
| Durchschnittliche Molmasse | 73,12 g/mol |
| Monoisotopische Masse | 72,9986201 g/mol |
| SMILES | CN=C=S |
| InChIKey | LGDSHSYDSCRFAB-UHFFFAOYSA-N |
| PubChem CID | 11167 |
| ChEMBL | CHEMBL396000 |
| ChEBI | CHEBI:78337 |
| EC No. | 209-132-5 |
| DTXSID | DTXSID2027204 |
| Lokaler Name | Methylisothiocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 44 |
| Stoffklassen | Nitrogen Compounds -> IsothiocyanatesFlammable agents - 3rd degree |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Pestizide | Fungicides, Herbicides, Insecticides, NematicidesActive substance -> EU Pesticides database: Not approvedEnvironmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP (Verteilungskoeffizient) | log Kow = 0.94 |
| Geruch | Horseradish-like odor |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.069 at 98.6 °F (EPA, 1998) - Denser than waterwill sink1.0691 at 37 °C/4 °C0.938-0.9421.069 @ 37°C1.069 g/mL at 25 °C(lit.) |
| Color/Form | Colorless crystalsSolid at room temperature but sublimes directly to a gas. |
| Löslichkeit | Readily soluble in common organic solvents, such as ethanol, methanol, acetone, cyclohexanone, dichloromethane, chloroform, carbon tetrachloride, benzene, xylene, petroleum ether, and mineral oils.Very soluble in ethyl etherIn water, 7.6X10+3 mg/L at 25 °C7.6 mg/mL at 20 °CVery slightly soluble in waterfreely soluble in etherSoluble (in ethanol)H2O: slightly soluble7.6 g/L |
| Corrosivity | Corrosive to iron, zinc and other metals |
| Flammpunkt | 20 °F95 °F (35 °C) (closed cup). /MITC-Fume/90 °F |
| Siedepunkt | 246 °F at 760 mmHg (EPA, 1998)119 °C117.00 to 118.00 °C. @ 760.00 mm Hg117-118 °C119 °C @760 [mm Hg]117-118 °C(lit.) |
| Schmelzpunkt | 30-34 °C(lit.) |
| Dampfdruck | 21 mm Hg ( 20 °C) |
| Brechungsindex | nD37 1.5258 |
| FEMA | 4426 | METHYL ISOTHIOCYANATE |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Low Melting Solid |
| Farbe | White to pale yellow |
| Geruch | at 0.01 % in propylene glycol. pungent mustard horseradish |
| Geruchsart | pungent |
| Biologische Quelle | rabbit |
| Merck | 14,6092 |
| JECFA Number | 1884 |
| Specific Activity | 19-25nmol/min·mg |
| BRN | 605319 |
| Henry-Konstante | 1.7×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Stabilität | Stable. Incompatible with strong oxidizing agents, alcohols, strong bases, amines. |
| InChIKey | LGDSHSYDSCRFAB-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | 1.3 at 20℃ |
| CAS Datenbank | 556-61-6(CAS DataBase Reference) |
| NIST chemische Informationen | Methane, isothiocyanato-(556-61-6) |
| EPA chemische Informationen | Methyl isothiocyanate (556-61-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatorische Informationen | Chemical: Methane, isothiocyanato-Commission Regulation (EC) No 1490/20022002/2076Status: Active Update: 23-07-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11490Methane, isothiocyanato-: HSNO Approval: HSR001541 Approved with controlsThe 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.) |
| DOT-Kennzeichnung | Poison Inhalation Hazard Flammable Liquid |
| Brandgefahren | (Non-Specific -- Pesticide, Solid, n.o.s.) This material may burn, but does not ignite readily. Fire may produce irritating or poisonous gases. When heated it emits very dangerous cyanides and sulfur compounds. Do not store below -4F or at elevated temperatures. Keep away from sparks. (EPA, 1998)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Brandpotenzial | Flammable |
| Gesundheitsgefahren | Very toxicprobable human oral lethal dose is 50-500 mg/kg, or between 1 teaspoonful and 1 oz. for a 70 kg (150 lb.) person. Highly irritating to skin, mucous membrances, and eyes. Human oral minimum lethal dose: approximately 1 g/kg. (EPA, 1998)· TOXICmay be fatal if inhaled, ingested or absorbed through skin. |
Anwendungen & Verwendung
Beschreibung
Methyl iso thio cyanate is the organo sulfur compound with the formula CH3N = C = S . This low melting colorless solid is a powerful lachrymator. As a precursor to a variety of valuable bioactive compounds, it is the most important organic iso thio cyanate in industry.
Occurrence
Reported found in horseradish.
Verwenden
Usually used to study the effect of pesticide Metam (methyl isothiocyanate is its active ingredient) in the streamside microbial communities of the upper Sacramento river