HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenoxy-benzolamin
3-Methyl-5-sulfanilamidoisothiazole · Bidizole · Amidozole · NSC 139593 · AKOS B019893 · AKOS AUF02007 · 4-Phenoxaniline · P-PHENOXYANILINE
Identifikatoren & physikalische Daten
| CAS No. | 139-59-3 |
|---|---|
| Summenformel | C12H11NO |
| Durchschnittliche Molmasse | 185,22 g/mol |
| Monoisotopische Masse | 185,08406397 g/mol |
| SMILES | Nc1ccc(Oc2ccccc2)cc1 |
| InChIKey | WOYZXEVUWXQVNV-UHFFFAOYSA-N |
| PubChem CID | 8764 |
| ChEMBL | CHEMBL249550 |
| EC No. | 205-367-2 |
| DTXSID | DTXSID8059687 |
| Lokaler Name | 4-Phenoxy-benzolamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 82-84 °C(lit.) |
| Siedepunkt | 140 °C (2.2503 mmHg) |
| Dichte | 1.0936 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Lagerbedingungen | RT, protect from light |
| Aggregatzustand | Crystalline Flakes or Powder |
| pKa (Säurekonstante) | 4.75±0.10(Predicted) |
| Farbe | Brown to green-brown |
| Löslichkeit | < 1 g/L (20 ºC) |
| BRN | 777708 |
| InChI | InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2 |
| InChIKey | WOYZXEVUWXQVNV-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(OC2=CC=CC=C2)C=C1 |
| CAS Datenbank | 139-59-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-phenoxy-(139-59-3) |
| EPA chemische Informationen | Benzenamine, 4-phenoxy- (139-59-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (97.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (89.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H341 (14.6%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]H400 (12.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (12.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (89.6%)Skin Sens. 1 (97.9%)Eye Irrit. 2 (100%)STOT SE 3 (89.6%)Muta. 2 (14.6%)Aquatic Acute 1 (12.5%)Aquatic Chronic 1 (12.5%) |
| F | 9 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29222990 |
| RTECS-Nr. | BY7930000 |
| R-Sätze (R) | 22-36/37/38-43-68-50/53 |
| Toxizität | skn-rbt 500 mg/24H MLD 28ZPAK -,119,72 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-61-45-24 |
| Gefahrenklasse | 9Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |