HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cyclopropylisothiocyanat
AKOS B022766 · ART-CHEM-BB B022766 · Cyclopropyl isothiocyate · Cyclopropyl isothiocyanate · ISOTHIOCYANATO-CYCLOPROPANE · cyclopropane, isothiocyanato- · Cyclopropyl isothiocyanate 97% · Cyclopropyl isothiocyanate,97%
Identifikatoren & physikalische Daten
| CAS No. | 56601-42-4 |
|---|---|
| Summenformel | C4H5NS |
| Durchschnittliche Molmasse | 99,16 g/mol |
| Monoisotopische Masse | 99,01427034 g/mol |
| SMILES | S=C=NC1CC1 |
| InChIKey | JGFBQFKZKSSODQ-UHFFFAOYSA-N |
| PubChem CID | 92463 |
| ChEMBL | CHEMBL5988401 |
| ChEBI | CHEBI:88382 |
| EC No. | 260-278-6 |
| DTXSID | DTXSID90205168 |
| Lokaler Name | Cyclopropylisothiocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 89 |
| Siedepunkt | 57-59 °C (15 mmHg) |
| Dichte | 1.053 g/mL at 25 °C |
| Brechungsindex | 1.544-1.546 |
| Flammpunkt | 57°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 1.07 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 3600974 |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2 |
| InChIKey | JGFBQFKZKSSODQ-UHFFFAOYSA-N |
| SMILES | C1(N=C=S)CC1 |
| CAS Datenbank | 56601-42-4(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopropane, isothiocyanato-(56601-42-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H330 (13%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (87%): Toxic if inhaled [Danger Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 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. 3 (100%)Skin Corr. 1B (100%)Acute Tox. 2 (13%)Acute Tox. 3 (87%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3286 |
| Zollcode | 29309090 |
| R-Sätze (R) | 34-23/25-10 |
| Gefahrensymbole | T,C |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 45-38-36/37/39-28A-26-16 |
| Gefahrenklasse | 3Acute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse |
Anwendungen & Verwendung
Verwenden
Cyclopropyl isothiocyanate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.