HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzene, 1-chloro-4-ethynyl-
1-CHLORO-4-ETHYNYLBENZENE · oro-4-ethynyL · (4-Chlorophenyl)ethyne · 4-CHOROPHENYLACETYLENE · p-Ethynylchlorobenzene · 4-CHLOROPHENYLACETYLENE · 4-Chlorophenylcaetylene · 1-(4-Chlorophenyl)ethyne
Identifikatoren & physikalische Daten
| CAS No. | 873-73-4 |
|---|---|
| Summenformel | C8H5Cl |
| Durchschnittliche Molmasse | 136,58 g/mol |
| Monoisotopische Masse | 136,00797784 g/mol |
| SMILES | C#Cc1ccc(Cl)cc1 |
| InChIKey | LFZJRTMTKGYJRS-UHFFFAOYSA-N |
| PubChem CID | 70118 |
| EC No. | 625-347-0 |
| DTXSID | DTXSID90236275 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 123 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 45-47 °C(lit.) |
| Siedepunkt | 79-82 °C (23 mmHg) |
| Dichte | 1.24 g/cm3(Temp: 50 °C) |
| Flammpunkt | 10 °C |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Acetone, Chloroform (Slightly), Dichloromethane, DMF, DMSO, Ethanol, Ethyl Acetate)Insoluble in water. Soluble in acetone, chloroform, dichloromethane, DMF, DMSO, ethanol, ethyl acetate, hexane, methanol,THF and toluene. |
| Aggregatzustand | Crystalline Mass |
| Farbe | Yellow to pale brown |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
| InChIKey | LFZJRTMTKGYJRS-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=C(C#C)C=C1 |
| CAS Datenbank | 873-73-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-chloro-4-ethynyl-(873-73-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (100%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 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. Sol. 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38-11 |
| Gefahrensymbole | F,Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 16-26-36-37/39 |
| Gefahrenklasse | 4.1Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | Ⅱ |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Chlorophenylacetylene is used as pharmaceutical intermediate.