HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Hydroxyphenylacetonitril
2-(4-HYDROXYPHENYL)ACETONITRILE · 4-HYDROXYPHENYLACETONITRILE · 4-Hydroxybenzyl · 4-cyanomethylphenol · 4-Hydroxybenzyl cyan · 4-Hydroxybenzylnitrile · 4-HYDROXY BENZYLCYARIDE · 4-HYDROXYBENZYL CYANIDE
Identifikatoren & physikalische Daten
| CAS No. | 14191-95-8 |
|---|---|
| Summenformel | C8H7NO |
| Durchschnittliche Molmasse | 133,15 g/mol |
| Monoisotopische Masse | 133,05276384 g/mol |
| SMILES | N#CCc1ccc(O)cc1 |
| InChIKey | AYKYOOPFBCOXSL-UHFFFAOYSA-N |
| PubChem CID | 26548 |
| ChEBI | CHEBI:16667 |
| EC No. | 238-046-0 |
| DTXSID | DTXSID90161856 |
| Lokaler Name | 4-Hydroxyphenylacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 44 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 139 |
| Siedepunkt | 329.00 to 330.00 °C. @ 760.00 mm Hg330 °C/756 mmHg (lit.) |
| Schmelzpunkt | 72 °C67-70 °C (lit.) |
| Physical Description | Solid |
| Dichte | 1.1475 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Flammpunkt | 178 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, DMSO, Methanol (Slightly)slightly soluble |
| pKa (Säurekonstante) | 9.63±0.13(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Light Brown to Beige |
| BRN | 1934470 |
| InChI | 1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2 |
| InChIKey | AYKYOOPFBCOXSL-UHFFFAOYSA-N |
| SMILES | Oc1ccc(CC#N)cc1 |
| LogP (Verteilungskoeffizient) | 0.591 (est) |
| CAS Datenbank | 14191-95-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Hydroxyphenylacetic acid nitrile(14191-95-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.9%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-Hydroxyphenylacetonitrile: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 29269095 |
| RTECS-Nr. | AM0530000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37-36/37/39-26 |
| Gefahrenklasse | 6.1Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Hydroxyphenylacetonitrile (cas# 14191-95-8) is a compound useful in organic synthesis.