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3,3-Dimethylbutyrylchlorid
TBAC · 3,3-DIMETHYLBUTANOYL CHLORIDE · TERT-BUTYLACETYL CHLORIDE · T-BUTYLACETYL CHLORIDE · AKOS BBS-00003928 · 3,3-Dimethylbutyryl · butylacetylchloride · Chloroacetoacetamides
Identifikatoren & physikalische Daten
| CAS No. | 7065-46-5 |
|---|---|
| Summenformel | C6H11ClO |
| Durchschnittliche Molmasse | 134,6 g/mol |
| Monoisotopische Masse | 134,04984265 g/mol |
| SMILES | CC(C)(C)CC(=O)Cl |
| InChIKey | BUTKIHRNYUEGKB-UHFFFAOYSA-N |
| PubChem CID | 81514 |
| EC No. | 230-356-4 |
| DTXSID | DTXSID4064557 |
| Lokaler Name | 3,3-Dimethylbutyrylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 91,2 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 127-129 °C (lit.) |
| Dichte | 0.969 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.421(lit.) |
| Flammpunkt | 70 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Reacts with water. |
| BRN | 1740421 |
| InChI | InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
| InChIKey | BUTKIHRNYUEGKB-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)CC(C)(C)C |
| CAS Datenbank | 7065-46-5(CAS DataBase Reference) |
| NIST chemische Informationen | tert-Butyl acetyl chloride(7065-46-5) |
| EPA chemische Informationen | Butanoyl chloride, 3,3-dimethyl- (7065-46-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12688Butanoyl chloride, 3,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 9-13-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2924 3/PG 2 |
| Zollcode | 29159000 |
| R-Sätze (R) | 10-34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 3Eye Dam. 1Flam. Liq. 2Skin Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3,3-Dimethylbutyryl Chloride is a useful compound in organic synthesis.