HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,N-Diethylanilin
DEA · DIETHYLANILINE · N,N-diethylbenzenamine · Diaethylanilin · N,N-Diethylanilin · Phenyldiethylamine · Diethylphenylamine · N-PHENYLDIETHYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 91-66-7 |
|---|---|
| Summenformel | C10H15N |
| Durchschnittliche Molmasse | 149,23 g/mol |
| Monoisotopische Masse | 149,12044948 g/mol |
| SMILES | CCN(CC)c1ccccc1 |
| InChIKey | GGSUCNLOZRCGPQ-UHFFFAOYSA-N |
| PubChem CID | 7061 |
| ChEMBL | CHEMBL252071 |
| EC No. | 202-088-8 |
| DTXSID | DTXSID8021800 |
| Lokaler Name | N,N-Diethylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 91 |
| LogP (Verteilungskoeffizient) | log Kow= 3.31 |
| Dichte | 0.906 (USCG, 1999) - Less dense than waterwill float0.9307 @ 20 °C/4 °CRelative density (water = 1): 0.930.9307 @ 20°C0.938 g/mL at 25 °C(lit.) |
| Color/Form | Colorless to yellow liquidBROWN OILY LIQUID |
| Löslichkeit | less than 1 mg/mL at 76.1 °F (NTP, 1992)1 g dissolves in 70 ml of water at 12 °Cslightly sol in alcohol, chloroform and etherSol in acetoneIn water, 139 mg/l @ 25 °CSolubility in water, g/100ml at 25 °C: 0.014water: soluble1g in 70ml at 12°C14 g/L (12 ºC) |
| Flammpunkt | 185 °F (NTP, 1992)185 °F (85 °C) (CLOSED CUP)79 °C c.c.208 °F |
| Siedepunkt | 419.9 °F at 760 mmHg198 °F at 10 mmHg (NTP, 1992)216.3 °C216.3 °C @760 [mm Hg]217 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides.215 °C |
| Schmelzpunkt | -37.8 °F (NTP, 1992)-38.8 °C-38 °C |
| Dampfdichte | 1.0 (AIR= 1)Relative vapor density (air = 1): 5.15.2 (vs air) |
| Dampfdruck | 1 mmHg at 121.5 °F (NTP, 1992)0.13 [mmHg]0.14 mm Hg @ 25 °CVapor pressure, Pa at 20 °C: 191 mm Hg ( 49.7 °C) |
| Brechungsindex | Index of refraction: 1.5409 @ 20 °C/Dn20/D 1.542(lit.) |
| Physical Description | N,n-diethylaniline appears as a colorless to yellow liquid with a fishlike odor, that is strongly corrosive. Irritating to skin, eyes and mucous membranes and moderately toxic by inhalation, absorption and ingestion. Flash point 185 °F. Used in dyes and in the production of organic chemicals.Colorless to yellow liquid[Merck Index] Light yellow liquid[MSDSonline]COLOURLESS-TO-YELLOW LIQUID WITH CHARACTERISTIC ODOUR. |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 6.61(at 22℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| pH | 8 (0.1g/l, H2O, 20℃) |
| Explosionsgrenze | 1.1-5.3%(V) |
| Merck | 14,3114 |
| BRN | 742483 |
| Henry-Konstante | 6.7×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 5.5(19℃) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids. |
| InChI | 1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 |
| InChIKey | GGSUCNLOZRCGPQ-UHFFFAOYSA-N |
| SMILES | CCN(CC)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 3.904 at 25℃ |
| CAS Datenbank | 91-66-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, N,N-diethyl-(91-66-7) |
| EPA chemische Informationen | N,N-Diethylaniline (91-66-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]H311: Toxic in contact with skin [Danger Acute toxicity, dermal]H331: Toxic if inhaled [Danger Acute toxicity, inhalation]H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.2% (1 of 421) of reports. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, N,N-diethyl-Hazard Traits - Hepatotoxicity and Digestive System ToxicityImmunotoxicityNeurotoxicityAuthoritative List - CA TACsReport - if used as a fragrance or flavor ingredientBenzenamine, N,N-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N,N-diethyl- 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: 21-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5270Status: Cease Manufacture Update: 07-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20925Diethylaniline: 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 | Special Hazards of Combustion Products: Emits toxic fumes under fire conditions. (USCG, 1999)· Combustible material: may burn but does not ignite readily.· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. |
Anwendungen & Verwendung
Verwenden
N,N-Diethylaniline is used in dyestuffs and in the synthesis of other intermediates and pharmaceuticals.