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N,N-Dimethyl-p-toluidin
N,N,4-Trimethylaniline · Dimethyl-p-toluidine · dimethyltoluidine · N,N-DIMETHYL-4-TOLUIDINE · N,N-DIMETHYL-PARA-TOLUIDINE · N,N-Dialkylarylamine · 4-DIMETHYLAMINOTOLUENE · n,n-dimethyl-p-toluidin
Identifikatoren & physikalische Daten
| CAS No. | 99-97-8 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | Cc1ccc(N(C)C)cc1 |
| InChIKey | GYVGXEWAOAAJEU-UHFFFAOYSA-N |
| PubChem CID | 7471 |
| ChEMBL | CHEMBL1462714 |
| EC No. | 202-805-4 |
| DTXSID | DTXSID0021832 |
| Lokaler Name | N,N-Dimethyl-p-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 90,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Kosmetika | Cosmetics ingredient -> Other (Specify)Solvent |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | log Kow = 2.812.612.85 |
| Geruch | Aromatic |
| Dichte | 0.9366 g/cu cm at 20 °CRelative density (water = 1): 0.90.937 g/mL at 25 °C(lit.) |
| Color/Form | Clear colorless liquidColorless to brown oil |
| Löslichkeit | In water, 455 mg/LIn water, 650 mg/L at 37 °CMiscible with ethanol, ethyl ethersoluble in carbon tetrachlorideSolubility in water, g/l at 37 °C: 0.65 (very slightly soluble)0.65g/lMiscible with alcohol, ether and chloroform. Immiscible with water. |
| Flammpunkt | 76 °C (closed cup)83 °C182 °F |
| Siedepunkt | 211 °C215 °C211 °C(lit.) |
| Decomposition | When heated to decomposition ir emits toxic vapors of NOx |
| Dampfdichte | Relative vapor density (air = 1): 4.7>1 (vs air) |
| Schmelzpunkt | -25°C |
| Dampfdruck | 0.1 hPa (20 °C) |
| Brechungsindex | n20/D 1.546(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1:7.24(+1) (25°C) |
| Farbe | Clear yellow |
| Explosionsgrenze | 7% |
| BRN | 774409 |
| Henry-Konstante | 2.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Dielektrizitätskonstante | 3.3(20℃) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | NAIL SCULPTING |
| InChI | 1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3 |
| InChIKey | GYVGXEWAOAAJEU-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(C)cc1 |
| LogP (Verteilungskoeffizient) | 1.729-2.81 at 35℃ |
| CAS Datenbank | 99-97-8(CAS DataBase Reference) |
| EPA chemische Informationen | N,N,4-Trimethylaniline (99-97-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P270, P271, P273, P280, P301+P316, P304+P340, P317, P318, P319, P321, P330, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.2% (1 of 563) of reports.H301+H311+H331 (21.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation] |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, N,N,4-trimethyl-Hazard Traits - CarcinogenicityBenzenamine, N,N,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N,N,4-trimethyl- 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: 13-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/8746Dimethyl-p-toluidine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzenamine, N,N,4-trimethyl-: Human health tier II assessment |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Combustible. Above 83 °C explosive vapour/air mixtures may be formed. |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Gefahrenübersicht | Can induce methemoglobinemia[ICSC] See Carcinogenicity of some industrial chemicals, Volume 115. [IARC, News Release, 23 February 2016] |
| Reaktive Gruppe | Amines, Aromatic |
| EG-Einstufung | H301H311H331H373 |
Anwendungen & Verwendung
Verwenden
N,N-Dimethyl-p-toluidine is used as a polymerization catalyst for polyesters, acrylate and epoxy resins. It is also used as a hardener for dental cements and in adhesives. It serves as an intermediate for photographic chemicals, in industrial glues, in artificial fingernail preparations, colorants, pharmaceuticals. It reacts with vinyl ether in the presence of copper(II) chloride gives tetrahydroquinolines. Further, it is used to accelerate polymerization of ethyl methacrylate.