HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Cyanobenzyl alcohol
4-cyanobeznyl alcohol · 4-CYANOBENZYL ALCOHOL · 4-methylolbenzonitrile · 4-Cyanobenzenemethanol · Tranexamic Acid Impurity 13 · 4-(Hydroxymethyl)benzonitrile · Benzonitrile,4-(hydroxyMethyl)- · 4-(Hydroxymethyl)benzonitrile 95%
Identifikatoren & physikalische Daten
| CAS No. | 874-89-5 |
|---|---|
| Summenformel | C8H7NO |
| Durchschnittliche Molmasse | 133,15 g/mol |
| Monoisotopische Masse | 133,05276384 g/mol |
| SMILES | N#Cc1ccc(CO)cc1 |
| InChIKey | XAASLEJRGFPHEV-UHFFFAOYSA-N |
| PubChem CID | 160549 |
| ChEBI | CHEBI:156307 |
| EC No. | 628-080-8 |
| DTXSID | DTXSID90236331 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 44 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 139 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 39-43 °C(lit.) |
| Siedepunkt | 203 °C(Press: 53 Torr) |
| Dichte | 1.16±0.1 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 13.99±0.10(Predicted) |
| Löslichkeit | Insoluble in water. |
| BRN | 2206193 |
| InChI | 1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2 |
| InChIKey | XAASLEJRGFPHEV-UHFFFAOYSA-N |
| SMILES | OCc1ccc(cc1)C#N |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-(Hydroxymethyl)benzonitrile [p-(hydroxymethyl)benzonitrile] may be used to synthesize p-((vinyloxy)methyl)benzonitrile (VOMBN).