HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzyl-N-ethylanilin
ETHYLBENZYLANILINE · Benzylethylaniline · N-Benzyl-N-ethylanil · n-ethylbenzylaniline · N-Ethyl-N-benzylanilin · ETHYLPHENYLBENZYLAMINE · Phenylethylbenzylamine · Benzylethylphenylamine
Identifikatoren & physikalische Daten
| CAS No. | 92-59-1 |
|---|---|
| Summenformel | C15H17N |
| Durchschnittliche Molmasse | 211,3 g/mol |
| Monoisotopische Masse | 211,13609954 g/mol |
| SMILES | CCN(Cc1ccccc1)c1ccccc1 |
| InChIKey | HSZCJVZRHXPCIA-UHFFFAOYSA-N |
| PubChem CID | 7098 |
| ChEMBL | CHEMBL1479610 |
| EC No. | 202-169-8 |
| DTXSID | DTXSID0025315 |
| Lokaler Name | N-Benzyl-N-ethylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 178 |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| SpringerMaterials Properties | Optical coefficient |
| LogP (Verteilungskoeffizient) | 4.5 |
| Dichte | 1.034 at 66 °F (NTP, 1992) - Denser than waterwill sink1.034 AT 19 °C/4 °CRelative density (water = 1): 1.031.029 g/mL at 25 °C(lit.) |
| Color/Form | LIGHT YELLOW, OILY LIQUIDCOLORLESS OILPALE YELLOW CRYSTALS |
| Löslichkeit | less than 1 mg/mL at 72 °F (NTP, 1992)PRACTICALLY INSOL IN WATERSOL IN USUAL ORG SOLVENTS1 ML DISSOLVES IN 5.5 ML ALCOHOLSOL IN ETHERSolubility in water at 20 °C: nonealcohol: soluble1ml in 5.5ml<0.1 g/100 mL at 22 ºC |
| Flammpunkt | greater than 200 °F (NTP, 1992)140 °C (284 °F) OC140 °C o.c.>230 °F |
| Siedepunkt | 545 to 547 °F at 760 mmHg (NTP, 1992)287 °C AT 710 MM HG163-164 °C6 mm Hg(lit.) |
| Decomposition | 313 °C |
| Schmelzpunkt | 93 to 97 °F (NTP, 1992)34 °C-30 °C34-36°C |
| Dampfdichte | 7.28 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 7.2 |
| Dampfdruck | 0.97 [mmHg]Vapor pressure, Pa at 20 °C: 1290.013Pa at 20℃ |
| Brechungsindex | n20/D 1.595(lit.) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 5.24±0.50(Predicted) |
| Merck | 14,3769 |
| BRN | 2099852 |
| Henry-Konstante | 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, acids. |
| InChI | 1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3 |
| InChIKey | HSZCJVZRHXPCIA-UHFFFAOYSA-N |
| SMILES | CCN(Cc1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 4.38 at 25℃ |
| CAS Datenbank | 92-59-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, N-ethyl-N-phenyl-(92-59-1) |
| EPA chemische Informationen | N-Ethyl-N-phenylbenzylamine (92-59-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanamine, N-ethyl-N-phenyl-Benzenemethanamine, N-ethyl-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-ethyl-N-phenyl- 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: Cease Manufacture Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19697Ethylbenzylaniline: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| Gefahrenübersicht | A mild skin irritant[ICSC] An irritantMay be harmful after ingestion or skin contact[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 2274 153 |
| Reaktive Gruppe | Amines, Aromatic |
| UN-Einstufung | UN Hazard Class: 6.1UN Pack Group: III |
| Reactivity Profile | N-ETHYL-N-BENZYLANILINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Chemical Dangers | Decomposes on burning. This produces toxic fumes. |
| DOT Emergency Guidelines | /GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXICinhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution./GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form./GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas./GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLYit is not effective in spill situations where direct contact with the substance is possible.For more DOT Emergency Guidelines (Complete) data for N-ETHYL-N-BENZYLANILINE (8 total), please visit the HSDB record page. |
| DOT Hazard Classification | N-Ethyl-N-benzylanilineUN2274Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor |
| Brandbekämpfung | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Use water spray, carbon dioxide, powder. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 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.General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Brandbekämpfungsverfahren | ALCOHOL FOAM. WATER OR FOAM MAY CAUSE FROTHING. |
| Freisetung ohne Brand | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Verschüttetes entsorgen | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in covered containers. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Immediate precautionary measure |
| Eye Prevention | Wear safety spectacles. |
| 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. |
| Signs and Symptoms | Redness. |
| ICSC Environmental Data | The substance is toxic to aquatic organisms. The substance may cause long-term effects in the aquatic environment. |
| F | 8-23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2274 |
| Zollcode | 29214990 |
| R-Sätze (R) | 21/22-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 92-59-1(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
N-Benzyl-N-ethylaniline was used in a study to investigate the electron transfer quenching dynamics of excited perylene and cyanoperylene in various donating solvents.