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N-Ethylcyclohexanamin
N-Ethylcyclohexanamine · Ethylcyclohexylamine · NECHA · Nsc6272 · vulkacithx · Vulkacit HX · Wln: L6tj am2 · acceleratorhx
Identifikatoren & physikalische Daten
| CAS No. | 5459-93-8 |
|---|---|
| Summenformel | C8H17N |
| Durchschnittliche Molmasse | 127,23 g/mol |
| Monoisotopische Masse | 127,13609954 g/mol |
| SMILES | CCNC1CCCCC1 |
| InChIKey | AGVKXDPPPSLISR-UHFFFAOYSA-N |
| PubChem CID | 21609 |
| EC No. | 226-733-8 |
| DTXSID | DTXSID8063913 |
| Lokaler Name | N-Ethylcyclohexanamin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 65 |
| Stoffklassen | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| Dichte | 0.8527 at 77 °F (USCG, 1999) - Less dense than waterwill float0.868 @ 0 °C/0 °C0.844 g/mL at 25 °C (lit.) |
| Löslichkeit | SLIGHTLY SOL IN WATERSOL IN ALL PROP IN ALCOHOL, ETHER |
| Flammpunkt | 85 °F115 °F (cc) (USCG, 1999)86 °F OC111 °F |
| Siedepunkt | 329 °F at 760 mmHg (USCG, 1999)164 °C @ 760 MM HG165 °C (lit.) |
| Schmelzpunkt | -49 °F (USCG, 1999)-15°C (estimate) |
| Dampfdichte | 4.4 (AIR= 1)4.4 (vs air) |
| Physical Description | Ethyl-n-cyclohexylamine appears as a clear colorless liquid with an ammonia-like odor. Floats on water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.Colorless clear liquid with an ammoniacal odor[CAMEO] |
| Selbstentzündungstemperatur | 545 °F (USCG, 1999) |
| Dampfdruck | 2 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.452(lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 11.16±0.20(Predicted) |
| Farbe | Clear colorless to light yellow |
| Explosionsgrenze | 7.6% |
| BRN | 2070280 |
| InChI | 1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3 |
| InChIKey | AGVKXDPPPSLISR-UHFFFAOYSA-N |
| SMILES | CCNC1CCCCC1 |
| LogP (Verteilungskoeffizient) | 1.027 at 25℃ and pH7.75 |
| CAS Datenbank | 5459-93-8(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexanamine, N-ethyl-(5459-93-8) |
| EPA chemische Informationen | N-Ethylcyclohexylamine (5459-93-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 212 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanamine, N-ethyl-Status: Active Update: 20-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11208Cyclohexanamine, N-ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.The 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 | Flammable Liquid |
| Brandgefahren | Behavior in Fire: Dangerous when exposed to heat or flame. Can react vigorously with oxidizing materials. (USCG, 1999) |
| Brandpotenzial | DANGEROUS, WHEN EXPOSED TO HEAT, FLAME, OR OXIDIZERS |
| Gesundheitsgefahren | Inhalation of high concentration of vapor will produce irritation of the respiratory tract and lungs. Inhalation of large quantities of vapor may be fatal. (USCG, 1999) |
| Gefahrenübersicht | Corrosive and toxic[Hawley] External application to rabbit eyes scored 9 on a scale of 1-10 (10 being most severe) for degree of injury after 24 hoursEmergency treatment: Irritants[HSDB] Lung and respiratory tract irritant[CAMEO] Vapor is irritating to eyes, nose, and throatLiquid can burn skin and eyes[CHRIS] A severe skin and eye irritant[RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may result in chemical pneumonitis[Alfa Aesar MSDS] |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | ETHYL-N-CYCLOHEXYLAMINE 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. |
| Air and Water Reactions | Highly flammable. Slightly soluble in water. |
| NFPA Hazard Classification | 3 - Materials that, under emergency conditions, can cause serious or permanent injury.3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Corrosives, Flammable agents - 3rd degree |
| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Erste Hilfe | INHALATION: Remove from exposure area. Prompt medical attention required. |
| Brandbekämpfungsverfahren | ALCOHOL FOAM, MIST, SPRAY, DRY CHEMICAL |
| Freisetung ohne Brand | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Personal Protective Equipment (PPE) | Gas mask suitable for ammoniaface shield or splash proof gogglesrubber gloves. If entering spill area, wear self-contained breathing apparatus and full protective clothing, including boots. (USCG, 1999) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Non-Human Toxicity Excerpts | ...RATED 9 ON RABBIT EYES. /SUBSTANCE HAS BEEN TESTED EXTERNALLY & RATED ON A SCALE OF 1-10 ACCORDING TO DEG OF INJURY OBSERVED AFTER 24 HR. MOST SEVERE INJURIES HAVE BEEN RATED 10./ |
| Toxicity Data | LCLo (rat) = 500 ppm/4h |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2734 8/PG 2 |
| Zollcode | 29213000 |
| RTECS-Nr. | GX1225000 |
| R-Sätze (R) | 10-20/21/22-35 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Skin Corr. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 5459-93-8(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 473 °F |
Anwendungen & Verwendung
Verwenden
N-Ethylcyclohexylamine can be used in the synthesis of a series of isatin-N-Mannich bases.