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Trichlormethylsulfenyl-chlorid
PCM · PMM · PERCHLOROMETHYL MERCAPTAN · chlorothio-trichloro-methane · Clairsit · Clairsit(TM) · perchloromethyl · rcrawastenumberp118
Identifikatoren & physikalische Daten
| CAS No. | 594-42-3 |
|---|---|
| Summenformel | CCl4S |
| Durchschnittliche Molmasse | 185,9 g/mol |
| Monoisotopische Masse | 183,84748172 g/mol |
| SMILES | ClSC(Cl)(Cl)Cl |
| InChIKey | RYFZYYUIAZYQLC-UHFFFAOYSA-N |
| PubChem CID | 11666 |
| ChEMBL | CHEMBL3188766 |
| EC No. | 209-840-4 |
| DTXSID | DTXSID6025854 |
| Lokaler Name | Trichlormethylsulfenyl-chlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 37,3 |
| Stoffklassen | Toxic Gases & Vapors -> Other Toxic Gases & Vapors |
| SpringerMaterials Properties | Schoenflies notation |
| Geruch | STRONG UNPLEASANTUnbearable, acrid odor. |
| Dichte | 1.6947 at 68 °F (EPA, 1998) - Denser than waterwill sinkSp gr: 1.7 at 20 °CRelative density (water = 1): 1.71.6947 @ 20°C1.7 g/mL at 25 °C(lit.) |
| Color/Form | OILY, YELLOW LIQUIDYELLOW TO ORANGE-REDPale-yellow, oily liquid. |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)SOL IN ETHERINSOL IN WATERSolubility in water: noneInsolubleChloroform, Ethyl Acetate |
| Corrosivity | CORROSIVE TO MOST METALS |
| Siedepunkt | 297 to 298 °F at 760 mmHg (EPA, 1998)147-148 °C @ 760 MM HG, 51 °C @ 25 MM HG297 °F149 °C @760 [mm Hg]297 °F (Decomposes)146-148 °C(lit.) |
| Decomposition | DECOMPOSES BETWEEN 148-9 °C |
| Dampfdichte | 6.414 (EPA, 1998) - Heavier than airwill sink (Relative to Air)6.414 (AIR= 1)Relative vapor density (air = 1): 6.46.41 (vs air) |
| Geruchsschwelle | Odor Threshold Low: 0.001 [ppm] |
| Dampfdruck | 25 mmHg at 123.8 °F (EPA, 1998)3.0 [mmHg]Vapor pressure of 65 torr at 70 °C3 mm Hg at 20 °C.Vapor pressure, kPa at 20 °C: 0.43 mmHg2.02 psi ( 20 °C) |
| Brechungsindex | n20/D 1.537(lit.) |
| Lagerbedingungen | -20°C Freezer |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| Henry-Konstante | 4.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/CCl4S/c2-1(3,4)6-5 |
| InChIKey | RYFZYYUIAZYQLC-UHFFFAOYSA-N |
| SMILES | ClSC(Cl)(Cl)Cl |
| CAS Datenbank | 594-42-3(CAS DataBase Reference) |
| NIST chemische Informationen | Methanesulfenyl chloride, trichloro-(594-42-3) |
| EPA chemische Informationen | Perchloromethyl mercaptan (594-42-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatorische Informationen | T - indicates a substance that is the subject of a final TSCA section 4 test rule.Status: No longer Valid Update: 24-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/6687Perchloromethyl mercaptan: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.The 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 |
| Brandgefahren | Very irritating vapors formed from hot materialmay form phosgene gas, hydrogen chloride, and sulfur dioxide. At high temperatures this compound will decompose to carbon tetrachloride, sulfur chloride, heavy oil polymers, phosgene gas, hydrogen chloride, and sulfur dioxide. Reacts with iron or steel, evolving carbon tetrachloride. Corrosive to most metals. Reacts with water only when hot to give carbon dioxide, hydrochloric acid, and sulfur. Hazardous polymerization may not occur. (EPA, 1998)· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Brandpotenzial | THIS CMPD IS NEITHER FLAMMABLE NOR SERIOUS FIRE HAZARD, ALTHOUGH IT WILL SUPPORT COMBUSTION. |
| Gesundheitsgefahren |
Anwendungen & Verwendung
Beschreibung
Perchlormethylmercaptan bildet eine ölige, hellgelbe, wasserunlösliche, extrem penetrant riechende, heftig zu Tränen reizende Flüssigkeit. Die Geruchsbelästigung ist fast unerträglicher als der Tränenreiz. Aufgrund dieser Eigenschaften wurde die Substanz im 1. Weltkrieg als chemischer Kampfstoff verwendet. Der erstmalige Einsatz erfolgte im September 1915 durch französische und russische Truppen. Heute wird Perchlormethylmercaptan zur Herstellung von Bioziden, Brennstoffadditiven und Farbstoffen verwendet.
Verwenden
Organic synthesis, dye intermediate, fumigant.