HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76689Erstellt: 27. Oktober 2026
p-Phenylbenzaldehyd
[1,1'-BIPHENYL]-4-CARBALDEHYDE · 4-PHENYLBENZALDEHYDE · BIPHENYL-4-CARBOXALDEHYDE · 4-Benzaldehyde · BIPHENYL-4-CARBALDEHYDE · Biphenyl-4-Carboxyaldehyde · 4-Biphenylcarboxaldehyde,99% · 4BPA
https://huagongshe.com/de/chemical/76689
Identifikatoren & physikalische Daten
| CAS No. | 3218-36-8 |
|---|
| Summenformel | C13H10O |
|---|
| Durchschnittliche Molmasse | 182,22 g/mol |
|---|
| Monoisotopische Masse | 182,07316494 g/mol |
|---|
| SMILES | O=Cc1ccc(-c2ccccc2)cc1 |
|---|
| InChIKey | ISDBWOPVZKNQDW-UHFFFAOYSA-N |
|---|
| PubChem CID | 76689 |
|---|
| ChEMBL | CHEMBL341478 |
|---|
| EC No. | 221-742-3 |
|---|
| DTXSID | DTXSID9073961 |
|---|
| Lokaler Name | p-Phenylbenzaldehyd |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|
| Polarare Oberfläche (TPSA) | 17,1 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 14 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 174 |
|---|
| SpringerMaterials Properties | Angular frequency |
|---|
| Schmelzpunkt | 57-59 °C (lit.) |
|---|
| Siedepunkt | 184 °C/11 mmHg (lit.) |
|---|
| Dichte | 1,107 g/cm3 |
|---|
| Dampfdruck | 0.025Pa at 25℃ |
|---|
| Brechungsindex | 1.5994 (estimate) |
|---|
| Flammpunkt | 172°C |
|---|
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
|---|
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)17mg/L at 20℃ |
|---|
| Aggregatzustand | Crystals or Crystalline Powder |
|---|
| Farbe | White to light yellow |
|---|
| BRN | 606693 |
|---|
| InChI | 1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H |
|---|
| InChIKey | ISDBWOPVZKNQDW-UHFFFAOYSA-N |
|---|
| SMILES | O=Cc1ccc(cc1)-c2ccccc2 |
|---|
| LogP (Verteilungskoeffizient) | 2.98 at 20℃ |
|---|
| CAS Datenbank | 3218-36-8(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | [1,1'-Biphenyl]-4-carboxaldehyde(3218-36-8) |
|---|
| EPA chemische Informationen | [1,1'-Biphenyl]-4-carboxaldehyde (3218-36-8) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 23-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11602 |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (12%) |
|---|
| F | 10-23 |
|---|
| Wassergefährdungsklasse (WGK) | 1 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 29122990 |
|---|
| RTECS-Nr. | DV1767000 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Acute Tox. 4 Oral |
|---|
