Chlorsulfonylisocyanat
Chlorosulfonyl isocyanate
Grundinformationen
- CAS
1189-71-5- Standard-SMILES
O=C=NS(=O)(=O)Cl- InChIKey
WRJWRGBVPUUDLA-UHFFFAOYSA-N- Summenformel
- CClNO3S
- Durchschnittliche Molmasse
- 141,53 g/mol
- Monoisotopische Masse
- 140,92874154
Überblick
Chlorosulfonyl isocyanate, also known as CSI, is a chemical compound of cyanide. It is used in organic synthesis for purposes such as the preparation of medically important preparation of beta-lactams. (L573)
Namen und Bezeichner
- Bevorzugter Name
- Chlorosulfonyl isocyanate
- IUPAC
- N-(oxomethylidene)sulfamoyl chloride
- Lokaler Name
- Chlorsulfonylisocyanat
- Englischer Name
- Chlorosulfonyl isocyanate
- Summenformel
- CClNO3S
- Molmasse
- 141.53
Namen und Synonyme
Chlorosulfonyl isocyanate1189-71-5Sulfuryl chloride isocyanateChlorosulfonylisocyanateChlorosulphonyl isocyanate[(CHLOROSULFONYL)IMINO]METHANONEDTXSID0061585((chlorosulfonyl)imino)methanoneRefChem:125518DTXCID1033458214-715-2sulfurisocyanatidic chloride
Weitere Namen anzeigen
CSIchloroSulfonylN-Carbonylsulfamyl chloride, CSIChlorosulfonyl isocyCefuroxim Impurity 17
N-Carbonylsulfamyl chloridechlorsulfonyl isocyanateN-(oxomethylidene)sulfamoyl chlorideN-Chlorosulfonyl isocyanatesulfurisocyanatidoyl chlorideN-(oxomethylene)sulfamoyl chlorideMFCD000116082903Y990SM
Datenbank-Bezeichner
- CAS
1189-71-5- PubChem CID
- 70918
- DTXSID
DTXSID0061585- UNII
- 2903Y990SM
- EC Number
- 214-715-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 72 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 181
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesSchoenflies notation
Physikochemische Eigenschaften
- Schmelzpunkt
- -44 °C · -44 °C (lit.)
- Siedepunkt
- 107 °C · 107 °C (lit.)
- Dichte
- 1.626 g/mL · 1.626 g/mL at 25 °C (lit.)
- Dampfdruck
- 5.57 psi · 5.57 psi ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.447(lit.)
- Flammpunkt
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly, Heated)
- Aggregatzustand
- Crystals, Crystalline Powder or Granules
- Wichte
- 1.626 · 1.626 (20℃)
- Farbe
- White
- Wasserlöslichkeit
- reacts violently exothermic
- BRN
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Sulfuryl chloride isocyanate
Status: Active Update: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10803
Chlorosulphonyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxikologische Informationen
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)
Health Effects
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)
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Cyanide is rapidly alsorbed through oral, inhalation, and dermal routes and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)
Verwendung und Herstellung
UsesChlorosulfonyl isocyanate is used in organic synthesis for purposes such as the preparation of medically important preparation of beta-lactams. (L573)
General Manufacturing InformationSulfuryl chloride isocyanate: ACTIVE
Anwendungen
VerwendenChlorosulfonyl 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
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