HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Ethynyltoluene
1-ETHYNYL-4-METHYLBENZENE · BENZENE, 1-ETHYNYL-4-METHYL- · ethynyltoluene · P-TOLYLACETYLENE · p-Methylphenylacetylene · p-tolyacetylene · P-ETHYNYLTOLUENE · 5-ETHYNYLTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 766-97-2 |
|---|---|
| Summenformel | C9H8 |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,06260026 g/mol |
| SMILES | C#Cc1ccc(C)cc1 |
| InChIKey | KSZVOXHGCKKOLL-UHFFFAOYSA-N |
| PubChem CID | 13018 |
| ChEBI | CHEBI:177630 |
| EC No. | 616-371-2 |
| DTXSID | DTXSID30227420 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 118 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 168-170 |
| Siedepunkt | 168-170 °C(lit.) |
| Dichte | 0.916 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.547(lit.) |
| Flammpunkt | 120 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear pale yellow |
| Wichte | 0.916 |
| Löslichkeit | Insoluble in water. |
| BRN | 969653 |
| InChI | InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3 |
| InChIKey | KSZVOXHGCKKOLL-UHFFFAOYSA-N |
| SMILES | C1(C#C)=CC=C(C)C=C1 |
| CAS Datenbank | 766-97-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-ethynyl-4-methyl-(766-97-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (98%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3295 3/PG 3 |
| Zollcode | 29029090 |
| RTECS-Nr. | XT2570000 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 16-26-27-36/37/39 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Ethynyltoluene was used in the synthesis of bis(bicyclic) products by the cycloaddition of alkynes to the AlN2C2.