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p-tert-Butylanilin
P-TERT-BUTYLANILINE · ZR DX1&1&1 · P-T-BUTYLANILINE · Compound Fr14181 · BUTTPARK 44\03-77 · p-tert-Butylanilin · 4-(t-Butyl)aniline · TIMTEC-BB SBB007738
Identifikatoren & physikalische Daten
| CAS No. | 769-92-6 |
|---|---|
| Summenformel | C10H15N |
| Durchschnittliche Molmasse | 149,23 g/mol |
| Monoisotopische Masse | 149,12044948 g/mol |
| SMILES | CC(C)(C)c1ccc(N)cc1 |
| InChIKey | WRDWWAVNELMWAM-UHFFFAOYSA-N |
| PubChem CID | 69861 |
| ChEMBL | CHEMBL1800270 |
| EC No. | 212-215-9 |
| DTXSID | DTXSID0048181 |
| Lokaler Name | p-tert-Butylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 115 |
| Kovats Retention Index | 1270.42011 |
| Collision Cross Section | 147.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0048181]147.3 Ų [M+H]+ [CCS Type: DTIonization: APCI+ |
| Schmelzpunkt | 15-16 °C (lit.) |
| Siedepunkt | 90-93 °C/3 mmHg (lit.) |
| Dichte | 0.937 g/mL at 25 °C (lit.) |
| Dampfdruck | 5.34-5.77Pa at 25℃ |
| Brechungsindex | n20/D 1.538(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1: 3.78(+1) (25°C) |
| Wichte | 0.937 |
| Farbe | Clear orange-red to brownish |
| Löslichkeit | Insoluble in water. |
| BRN | 2205786 |
| InChI | 1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3 |
| InChIKey | WRDWWAVNELMWAM-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(N)cc1 |
| LogP (Verteilungskoeffizient) | 2.7-2.99 |
| CAS Datenbank | 769-92-6(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Tert-butylbenzeneamine(769-92-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (62.1%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (11.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (87.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (89.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (46.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (86.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 103 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: Benzenamine, 4-(1,1-dimethylethyl)-Status: Active Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23433 |
| Hazard Classes and Categories | Acute Tox. 4 (62.1%)Skin Corr. 1B (11.7%)Skin Irrit. 2 (87.4%)Eye Irrit. 2 (89.3%)Acute Tox. 4 (46.6%)STOT SE 3 (86.4%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29214980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
4-tert-Butylaniline reacts with formic acid to produce formic acid-(4-tert-butyl-anilide). This reaction could happen in the presence of the solvent of toluene in the condition of heating. 4-tert-Butylaniline is used in the synthesis of 4-tert-Butyl-4,4-dinitrotriphenylamine, new triphenylamine-containing diamine monomer and 2-oxopyrimido[4,5-d]pyrimidin-5(6H)-one.