HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzene, 1-bromo-4-ethynyl-
1-BROMO-4-ETHYNYLBENZENE · (4-BromphenyL · 4-BROMOPHENYLACETYLENE · (4-BroMphenyl)acetylene · 4'-BROMOPHENYL ACETYLENE · 1-ETHYNYL-4-BROMOBENZENE · 4-Bromophenylacetylene 98% · Benzene, 1-broMo-4-ethynyl-
Identifikatoren & physikalische Daten
| CAS No. | 766-96-1 |
|---|---|
| Summenformel | C8H5Br |
| Durchschnittliche Molmasse | 181,03 g/mol |
| Monoisotopische Masse | 179,95746226 g/mol |
| SMILES | C#Cc1ccc(Br)cc1 |
| InChIKey | LTLVZQZDXQWLHU-UHFFFAOYSA-N |
| PubChem CID | 136603 |
| EC No. | 628-102-6 |
| DTXSID | DTXSID20227419 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| 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 | 64-67 °C(lit.) |
| Siedepunkt | 88-90°C 16mm |
| Dichte | 1.4255 (rough estimate) |
| Brechungsindex | 1.6411 (estimate) |
| Flammpunkt | 88-90°C/16mm |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | Soluble in chloroform, diethyl ether and ethanol. |
| Aggregatzustand | Powder, Crystalline Powder or Solid |
| Farbe | White to yellow |
| BRN | 1209726 |
| InChI | InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
| InChIKey | LTLVZQZDXQWLHU-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(C#C)C=C1 |
| CAS Datenbank | 766-96-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-4-ethynyl-(766-96-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, 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 | Acute Tox. 4 (87.8%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 22-51/53 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 61 |
| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Chronic 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromophenylacetylene, is used as the starting material for second-order nonlinear optical materials, heterocyclotriynes, and unsymmetrical 1,4-diarylbutadiynes.