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S-Methylchlorthioformiat
methylchlorothioformate · methylthiochloroformate · Methyl chlorothioformate · Methyl thiochloroformate · methylthiolchloroformate · METHYL CHLOROTHIOLFORMATE · s-methylchlorothioformate · Methyl thiolchloroformate
Identifikatoren & physikalische Daten
| CAS No. | 18369-83-0 |
|---|---|
| Summenformel | C2H3ClOS |
| Durchschnittliche Molmasse | 110,56 g/mol |
| Monoisotopische Masse | 109,9593136 g/mol |
| SMILES | CSC(=O)Cl |
| InChIKey | YPSUCTSXOROPBS-UHFFFAOYSA-N |
| PubChem CID | 17772 |
| EC No. | 242-244-2 |
| DTXSID | DTXSID40939744 |
| Lokaler Name | S-Methylchlorthioformiat |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 44 |
| Siedepunkt | 110 °C(lit.) |
| Dichte | 1.288 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.49(lit.) |
| Flammpunkt | 88 °F |
| Lagerbedingungen | 2-8°C |
| InChI | 1S/C2H3ClOS/c1-5-2(3)4/h1H3 |
| InChIKey | YPSUCTSXOROPBS-UHFFFAOYSA-N |
| SMILES | CSC(Cl)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 4 (100%)Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2920 8/PG 2 |
| RTECS-Nr. | LQ7000000 |
| R-Sätze (R) | 10-20/21/22-34-52/53 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 16-26-27-36/37/39-45-61 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT SE 2 Inhalation |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methyl Chlorothioformate is a chemical reagent used in the synthesis of Mitomycin C (M371900)-tethered phosphorothiaoate oligodeoxynucleotides. for use as an anti-tumor antibiotic. Also used in the preparation of Brassinin (B676950) derivatives, a plant metabolite of great significance due to its dual role both as an effective phytoalexin and as an early biosynthetic precursor of the majority of the phytoalexins.