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3-Chlor-3-methylbut-1-in
3-CHLORO-3-METHYLBUT-1-YNE · 3-CHLORO-3-METHYLBUTYNE · 3-chloro-3-methyl-1-butyn · 3-CHLORO-3-METHYL-1-BUTYNE · 3-Methyl-3-chloro-1-butyne · 2-Chloro-2-methyl-3-butyne · 1-Butyne, 3-chloro-3-methyl- · 3-Chloro-3-methyl-1-butyne,96%
Identifikatoren & physikalische Daten
| CAS No. | 1111-97-3 |
|---|---|
| Summenformel | C5H7Cl |
| Durchschnittliche Molmasse | 102,56 g/mol |
| Monoisotopische Masse | 102,0236279 g/mol |
| SMILES | C#CC(C)(C)Cl |
| InChIKey | QSILYWCNPOLKPN-UHFFFAOYSA-N |
| PubChem CID | 70679 |
| EC No. | 214-188-9 |
| DTXSID | DTXSID2061488 |
| Lokaler Name | 3-Chlor-3-methylbut-1-in |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 83,4 |
| SpringerMaterials Properties | Fluorescence |
| Schmelzpunkt | -61 °C (lit.) |
| Siedepunkt | 73-75 °C (lit.) |
| Dichte | 0.913 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.418(lit.) |
| Flammpunkt | 40 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Hexane (Slightly) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to straw |
| Wichte | 0.91 |
| InChI | InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3 |
| InChIKey | QSILYWCNPOLKPN-UHFFFAOYSA-N |
| SMILES | C#CC(Cl)(C)C |
| CAS Datenbank | 1111-97-3(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Butyne, 3-chloro-3-methyl- (1111-97-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (98.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (98.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29032990 |
| R-Sätze (R) | 11-20/21/22 |
| Gefahrensymbole | F,Xn,Xi |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Chloro-3-methyl-1-butyne is a propargyl chloride used to alkylate methanol, ethanol, ammonia and amines to the corresponding propargylic ether and amines.