HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Ethoxyanilin
P-PHENETIDINE · 4-ETHOXYANILINE · PARA PHENETIDINE · ethoxyaniline · Benzenamine, 4-ethoxy- · p-Aminophenolethylether · p-Phenetidin · 4-Ethoxyanilin
Identifikatoren & physikalische Daten
| CAS No. | 156-43-4 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | CCOc1ccc(N)cc1 |
| InChIKey | IMPPGHMHELILKG-UHFFFAOYSA-N |
| PubChem CID | 9076 |
| ChEMBL | CHEMBL250969 |
| ChEBI | CHEBI:85505 |
| EC No. | 205-855-5 |
| DTXSID | DTXSID0025864 |
| Lokaler Name | 4-Ethoxyanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87,3 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 1.24 |
| Dichte | 1.0652 at 61 °F (NTP, 1992) - Denser than waterwill sink1.1 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01.065 g/mL at 25 °C(lit.) |
| Löslichkeit | 5 to 10 mg/mL at 68 °F (NTP, 1992)Solubility in water, g/100ml at 20 °C: 2 (moderate)20g/lpractically insoluble |
| Flammpunkt | 240 °F (NTP, 1992)120 °C c.c. |
| Siedepunkt | 482 °F at 760 mmHg (NTP, 1992)253-255 °C250 °C(lit.) |
| Schmelzpunkt | 36 to 39 °F (NTP, 1992)2.4 °C2-5 °C(lit.) |
| Dampfdichte | 4.73 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 4.7 |
| Dampfdruck | 3.48 mmHg at 77 °F (NTP, 1992)0.01 [mmHg]Vapor pressure, Pa at 50 °C: 102.93Pa at 25℃ |
| Physical Description | P-phenetidine is a colorless to dark red liquid. (NTP, 1992)CBIColorless liquidTurns red to brown on air and light exposure[Merck Index] Brown liquid with an unpleasant odor[Alfa Aesar MSDS]COLOURLESS LIQUID. TURNS DARK RED ON EXPOSURE TO AIR AND LIGHT. |
| Collision Cross Section | 139.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0025864] |
| Brechungsindex | n20/D 1.559(lit.) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 5.2(at 28℃) |
| Aggregatzustand | A liquid |
| Farbe | Clear Yellow |
| pH | 8 (1g/l, H2O, 20℃) |
| Merck | 14,7228 |
| BRN | 606666 |
| Dielektrizitätskonstante | 7.3(21℃) |
| Stabilität | Stable, but light and air sensitive. Combustible. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3 |
| InChIKey | IMPPGHMHELILKG-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(N)cc1 |
| CAS Datenbank | 156-43-4(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Ethoxyaniline(156-43-4) |
| EPA chemische Informationen | p-Phenetidine (156-43-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 4-ethoxy-Benzenamine, 4-ethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4-ethoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 08-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10853Phenetidine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzenamine, 4-ethoxy-: Human health tier II assessment |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | This compound is combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include cyanosis, hypothermia, headache, drowsiness, vomiting, nephritis and irritation of the alimentary tract. |
| Gefahrenübersicht | An eye irritantMay induce methemoglobinemia[ICSC] Causes methemoglobinemia in repeated-dose oral studies of rats[RTECS] Toxic by ingestion, inhalation, and skin absorptionMay cause contact irritation, cyanosis, hypothermia, headache, drowsiness, vomiting, nephritis, and alimentary tract irritation[NTP] Case report of methemoglobinemia from occupational exposureSensitizing in 2 of 3 maximization tests of guinea pigsNot a lung sensitizer in guinea pigsSome evidence of skin sensitization in humans[IUCLID] A strong eye irritantMay cause skin sensitizationHarmful by ingestion, inhalation, and skin absorptionSuspected mutagen[Alfa Aesar MSDS] See m-Phenetidine. See p-Anisidine. |
| Reaktive Gruppe | Ethers |
| EG-Einstufung | Symbol: XnR: 20/21/22-36-43-68S: (2)-36/37-46 |
| UN-Einstufung | UN Hazard Class: 6.1UN Pack Group: III |
| Reactivity Profile | P-PHENETIDINE reacts vigorously with powerful oxidizers. |
| Chemical Dangers | On combustion, forms nitrogen oxides. Reacts with strong oxidants. |
| Physical Dangers | The vapour mixes well with air, explosive mixtures are easily formed. |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)Use powder, alcohol-resistant foam, water spray, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. Seek medical attention if you feel unwell. |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Sichere Lagerung | Separated from strong oxidants and food and feedstuffs. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Expositionspfade | The substance can be absorbed into the body by inhalation of its vapour and by ingestion. |
| Signs and Symptoms | Redness. |
| ICSC Environmental Data | Environmental effects from the substance have not been investigated adequately. |
| Toxicity Data | LCLo (rat) = 487 mg/m3/4hr |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2311 (PHENETIDINES) |
| Zollcode | 29222200 |
| RTECS-Nr. | SI6465500 |
| R-Sätze (R) | 23/24/25-33-68-43-36-20/21/22 |
| Toxizität | LD50 orl-rat: 580 mg/kg GISAAA 35(8),28,70 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 28-36/37-45-46 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Muta. 2Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
A toxic metabolite of Phenacetin (P294580) which exhibits high renal toxicity. p-Phenetidine also reduced COX-1 and COX-2 expression in neutrophils.