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1-Chloro-2-ethynylbenzene
(2-Chlorophenyl)ethyne · 2-CHLOROPHENYLACETYLENE · 2'-CHLOROPHENYL ACETYLENE · 1-CHLORO-2-ETHYNYLBENZENE · 2-Chlorophenylacetylene 98% · Benzene, 1-chloro-2-ethynyl- · 1-Chloro-2-ethynylbenzene >1-Chloro-2-ethynylbenzene 98% · Benzene, 1-chloro-2-ethynyl- (7CI, 8CI, 9CI)
Identifikatoren & physikalische Daten
| CAS No. | 873-31-4 |
|---|---|
| Summenformel | C8H5Cl |
| Durchschnittliche Molmasse | 136,58 g/mol |
| Monoisotopische Masse | 136,00797784 g/mol |
| SMILES | C#Cc1ccccc1Cl |
| InChIKey | DGLHLIWXYSGYBI-UHFFFAOYSA-N |
| PubChem CID | 585995 |
| EC No. | 628-265-3 |
| DTXSID | DTXSID40342931 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 131 |
| SpringerMaterials Properties | Density |
| Siedepunkt | 64-65/15mm |
| Dichte | 1.125 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5710(lit.) |
| Flammpunkt | 70 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in hexane. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Stabilität | Moisture, Light Sensitive |
| InChI | 1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H |
| InChIKey | DGLHLIWXYSGYBI-UHFFFAOYSA-N |
| SMILES | Clc1ccccc1C#C |
| CAS Datenbank | 873-31-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Chloro-2-ethynylbenzene may be used in the synthesis of 4-(2-chlorophenylethynyl)-3-methyl-5-phenylisoxazole.