HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Phenylamino)phenol
4-Oxydiphenylamine · vti1 · VTI2 · VTI 1 · VTI1L · VTI1L1 · v-SNARE · vti1-rp1
Identifikatoren & physikalische Daten
| CAS No. | 122-37-2 |
|---|---|
| Summenformel | C12H11NO |
| Durchschnittliche Molmasse | 185,22 g/mol |
| Monoisotopische Masse | 185,08406397 g/mol |
| SMILES | Oc1ccc(Nc2ccccc2)cc1 |
| InChIKey | JTTMYKSFKOOQLP-UHFFFAOYSA-N |
| PubChem CID | 31208 |
| ChEMBL | CHEMBL1885160 |
| ChEBI | CHEBI:233240 |
| EC No. | 204-538-9 |
| DTXSID | DTXSID5037739 |
| Lokaler Name | 4-(Phenylamino)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 158 |
| Pestizide | Pesticide (4-Hydroxydiphenylamine) -> USDA PDB |
| LogP (Verteilungskoeffizient) | 2.82 |
| Schmelzpunkt | 73 °C67-73°C |
| Physical Description | Solid |
| Collision Cross Section | 140.4 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID5037739] |
| Siedepunkt | 190°C |
| Dichte | 1.0936 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | 209°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Ethanol: Soluble: =10 mg/mlPBS (pH 7.2): Soluble: =10 mg/ml |
| Aggregatzustand | powder to lump |
| pKa (Säurekonstante) | 10.46±0.13(Predicted) |
| Farbe | Gray, solid leaflets |
| BRN | 511942 |
| InChI | InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H |
| InChIKey | JTTMYKSFKOOQLP-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(NC2=CC=CC=C2)C=C1 |
| CAS Datenbank | 122-37-2(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 4-(phenylamino)-(122-37-2) |
| EPA chemische Informationen | Phenol, 4-(phenylamino)- (122-37-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 11.4% (13 of 114) of reports.DangerH312 (36%): Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, 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 114 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 4-(phenylamino)-Status: Active Update: 18-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22038 |
| Hazard Classes and Categories | Acute Tox. 4 (36%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN2811 |
| Zollcode | 29222990 |
| RTECS-Nr. | SJ6950000 |
| R-Sätze (R) | 37/38-41-22-21 |
| Toxizität | LD50 oral in rat: 3300mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39-36/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-Hydroxydiphenylamine is used as a reactant in the preparation of iron methylisopropylglyoxime dimethylpyridine/dimethylaminopyridine/phenylaminophenol/imidazolidone complexes.