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Crotonoylchlorid
(E)-But-2-enoyl chloride · CROTONYL CHLORIDE · CrotonoyL · Einecs 210-889-9 · (E)-CH3CH=CHCOCl · CROTONIC CHLORIDE · E-Crotonoylchloride · E-CROTONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 10487-71-5 |
|---|---|
| Summenformel | C4H5ClO |
| Durchschnittliche Molmasse | 104,53 g/mol |
| Monoisotopische Masse | 104,0028925 g/mol |
| SMILES | C/C=C/C(=O)Cl |
| InChIKey | RJUIDDKTATZJFE-NSCUHMNNSA-N |
| PubChem CID | 643131 |
| EC No. | 210-889-9 |
| DTXSID | DTXSID201314046 |
| Lokaler Name | Crotonoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 75 |
| Physical Description | Pale yellow liquid with an acrid odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 796 |
| Schmelzpunkt | 72-74 °C |
| Siedepunkt | 120-123 °C(lit.) |
| Dichte | 1.091 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.459(lit.) |
| Flammpunkt | 95 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to brown |
| Löslichkeit | Reacts with water. |
| BRN | 506118 |
| InChI | InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+ |
| InChIKey | RJUIDDKTATZJFE-NSCUHMNNSA-N |
| SMILES | C(Cl)(=O)/C=C/C |
| CAS Datenbank | 625-35-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Butenoyl chloride, (E)-(625-35-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 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. |
|---|---|
| Gefahrenübersicht | Reacts with waterCauses burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Corr. 1B (100%)STOT SE 3 (87.2%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| F | 13-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | Yes |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29161900 |
| R-Sätze (R) | 10-34-36/37-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 16-26-27-36/37/39-45-28A-24/25 |
| Gefahrenklasse | 8Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Crotonyl chloride is used in agrochemical, pharmaceutical and dyestuff field. Crotonoyl chloride was used in the synthesis of α,β-unsaturated ester.