HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dibenzylamin
N,N-DIBENZYLAMINE · N-benzyl-1-phenylmethanamine · Accelerator DBA · N-Benzylbenzylamine · DBZA · DIBAM · Vulcaid 28 · forLabetalol
Identifikatoren & physikalische Daten
| CAS No. | 103-49-1 |
|---|---|
| Summenformel | C14H15N |
| Durchschnittliche Molmasse | 197,27 g/mol |
| Monoisotopische Masse | 197,12044948 g/mol |
| SMILES | c1ccc(CNCc2ccccc2)cc1 |
| InChIKey | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| PubChem CID | 7656 |
| ChEMBL | CHEMBL3182419 |
| ChEBI | CHEBI:189125 |
| EC No. | 203-117-7 |
| DTXSID | DTXSID6044355 |
| Lokaler Name | Dibenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 137 |
| Dampfdruck | 0.00026 [mmHg]1-1013hPa at 113.1-286℃ |
| Physical Description | Liquid with an ammoniacal odor[Merck Index] Colorless liquid with a weak odor[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive52.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Kovats Retention Index | 1688.9167024272473 |
| Collision Cross Section | 149.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6044355]150.8 Ų [M+H]+ [CCS Type: DTIonization: APCI+ |
| Schmelzpunkt | -26 °C (lit.) |
| Siedepunkt | 300 °C (lit.) |
| Dichte | 1.026 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.574(lit.) |
| Flammpunkt | 290 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | 0.4g/l0.05 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1:8.52(+1) (25°C) |
| Farbe | Clear colorless to light yellow |
| pH | 8.9 (H2O, 20℃) |
| Geruch | ammonia-like odor |
| Merck | 14,3011 |
| BRN | 909664 |
| Dielektrizitätskonstante | 3.6(20℃) |
| Stabilität | Stable. Incompatible with oxidizing agents, acid anhydrides, acids, acid chlorides, chloroformates. |
| InChI | 1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 |
| InChIKey | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| SMILES | C(NCc1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 2.67 at 20℃ |
| CAS Datenbank | 103-49-1(CAS DataBase Reference) |
| NIST chemische Informationen | Dibenzylamine(103-49-1) |
| EPA chemische Informationen | Dibenzylamine (103-49-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (75.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (24.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (42.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (24.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H410 (44.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H412 (18.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 256 reports by companies from 12 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. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanamine, N-(phenylmethyl)-Benzenemethanamine, N-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-(phenylmethyl)- 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: 14-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11844Status: Cease Manufacture Update: 06-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24936Status: Cease Manufacture Update: 14-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7229Dibenzylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion[Alfa Aesar MSDS] See Diphenylamine. |
| Hazard Classes and Categories | Acute Tox. 4 (99.6%)Skin Corr. 1C (75.4%)Skin Irrit. 2 (24.6%)Eye Dam. 1 (42.2%)Eye Irrit. 2 (24.6%)Aquatic Chronic 1 (44.1%)Aquatic Chronic 3 (18.8%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29214980 |
| R-Sätze (R) | 22-36/38-52/53-34 |
| Gefahrensymbole | Xn,Xi,C |
| hazard_note | Irritant/Corrosive |
| Sicherheitshinweise (S) | 26-61-45-36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Corr. 1C |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Dibenzylamine is used to prepare rubber accelerator for the vulcanization process and reaction-stoppers. Dibenzylamine type accelerators reduce nitrosamine production in the compounding process. It is also used to produce dibenzyl-nitroso-amine.
Herstellung & Synthese
synthetische
Dibenzylamine is obtained by the reaction of benzyl chloride and liquid ammonia in ethanol.