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Chlorsulfonylisocyanat
CSI · sulfurisocyanatidic chloride · N-chlorosulfonyl isocyanate · chlorosulphonyl isocyanate · [(Chlorosulfonyl)imino]methanone · chloroSulfonyl · N-CARBONYLSULFAMYL CHLORIDE · N-Carbonylsulfamyl chloride, CSI
Identifikatoren & physikalische Daten
| CAS No. | 1189-71-5 |
|---|---|
| Summenformel | CClNO3S |
| Durchschnittliche Molmasse | 141,53 g/mol |
| Monoisotopische Masse | 140,92874154 g/mol |
| SMILES | O=C=NS(=O)(=O)Cl |
| InChIKey | WRJWRGBVPUUDLA-UHFFFAOYSA-N |
| PubChem CID | 70918 |
| EC No. | 214-715-2 |
| DTXSID | DTXSID0061585 |
| Lokaler Name | Chlorsulfonylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 72 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 181 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | -44 °C (lit.) |
| Siedepunkt | 107 °C (lit.) |
| Dichte | 1.626 g/mL at 25 °C (lit.) |
| Dampfdruck | 5.57 psi ( 20 °C) |
| Brechungsindex | n20/D 1.447(lit.) |
| Flammpunkt | >110°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly, Heated)reacts violently exothermic |
| Aggregatzustand | Crystals, Crystalline Powder or Granules |
| Wichte | 1.626 (20℃) |
| Farbe | White |
| BRN | 1237247 |
| InChI | 1S/CClNO3S/c2-7(5,6)3-1-4 |
| InChIKey | WRJWRGBVPUUDLA-UHFFFAOYSA-N |
| SMILES | ClS(=O)(=O)N=C=O |
| CAS Datenbank | 1189-71-5(CAS DataBase Reference) |
| EPA chemische Informationen | Sulfuryl chloride isocyanate (1189-71-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 88 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Sulfuryl chloride isocyanateStatus: Active Update: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10803Chlorosulphonyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Treatment | Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97) |
| Gesundheitliche Auswirkungen | Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97) |
| Expositionspfade | Oral (L96)inhalation (L96)dermal (L96) |
| Toxizitätsübersicht | Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97) |
Anwendungen & Verwendung
Verwenden
Chlorosulfonyl isocyanate, a highly reactive chemical for chemical synthesis, is used as an intermediate used for production of antibiotics (Cefuroxime, penems), polymers as well as agrochemicals. Product Data Sheet