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Isovalerylchlorid
3-Methylbutanoyl chloride · ISOVALEROYL CHLORIDE · Butanoyl chloride, 3-methyl- · eryL · AKOS BBS-00003911 · Isovelrly Chloride · Isovaleric chloride · ISOVALERYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 108-12-3 |
|---|---|
| Summenformel | C5H9ClO |
| Durchschnittliche Molmasse | 120,58 g/mol |
| Monoisotopische Masse | 120,03419259 g/mol |
| SMILES | CC(C)CC(=O)Cl |
| InChIKey | ISULZYQDGYXDFW-UHFFFAOYSA-N |
| PubChem CID | 66054 |
| EC No. | 203-552-2 |
| DTXSID | DTXSID7059359 |
| Lokaler Name | Isovalerylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 68,5 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 115-117 °C (lit.) |
| Dichte | 0.989 g/mL at 25 °C (lit.) |
| Dampfdruck | 20.3hPa at 20℃ |
| Brechungsindex | n20/D 1.416(lit.) |
| Flammpunkt | 66 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Chloroform (Soluble), Methanol (Slightly)decomposes |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow or pink |
| Merck | 14,5232 |
| BRN | 741910 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3 |
| InChIKey | ISULZYQDGYXDFW-UHFFFAOYSA-N |
| SMILES | CC(C)CC(Cl)=O |
| CAS Datenbank | 108-12-3(CAS DataBase Reference) |
| NIST chemische Informationen | Butanoyl chloride, 3-methyl-(108-12-3) |
| EPA chemische Informationen | Butanoyl chloride, 3-methyl- (108-12-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (43.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 266 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Butanoyl chloride, 3-methyl-Status: Active Update: 22-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11918Isopentanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Butanoyl chloride, 3-methyl-: Human health tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 2 (43.6%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2502 8/PG 2 |
| Zollcode | 29159080 |
| R-Sätze (R) | 10-34-37-11-20 |
| Gefahrensymbole | C,F |
| Sicherheitshinweise (S) | 26-36/37/39-45-9-23-16 |
| Gefahrenklasse | 8Acute Tox. 3 InhalationFlam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Isovaleryl chloride was used in the synthesis of:furanodictines A and Btetrapeptide amide, S-benzyl-L-cysteinyl-L-prolyl-L-leucylglycinamide(+)-blastmycinone(R)- and (S)-2-methyl-4-octanol, aggregation pheromone of some sugarcane weevils