2-(1,1-Dimethylethyl)benzenamine
2-tert-butylaniline
CAS: 6310-21-0
Molecular Formula: C10H15N
2-(1,1-Dimethylethyl)benzenamine - Names and Identifiers
| Name | 2-tert-butylaniline |
| Synonyms | AKOS BBS-00003572 2-TERT-BUTYLANILINE 2-tert-butylaniline 2-tert-Butylaniline Aniline, 2-tert-butyl- 2-tert-Butylbenzenamine 2-TERT-BUTYLPHENYLAMINE 2-(1,1-Dimethylethyl)benzenamine |
| CAS | 6310-21-0 |
| EINECS | 228-634-5 |
| InChI | InChI=1/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3 |
| InChIKey | AEIOZWYBDBVCGW-UHFFFAOYSA-N |
2-(1,1-Dimethylethyl)benzenamine - Physico-chemical Properties
| Molecular Formula | C10H15N |
| Molar Mass | 149.23 |
| Density | 0.957 g/mL at 25 °C (lit.) |
| Melting Point | -60 °C (lit.) |
| Boling Point | 123-124 °C/17 mmHg (lit.) |
| Flash Point | 216°F |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.0525mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear pale yellow to red-brown |
| pKa | 3.78±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.545(lit.) |
| MDL | MFCD00130023 |
2-(1,1-Dimethylethyl)benzenamine - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| WGK Germany | 3 |
| HS Code | 29214990 |
2-(1,1-Dimethylethyl)benzenamine - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | 2-tert-butylaniline is an important fine chemical products, widely used in medicine, pesticides, dyes, polymer chemical and other fields. There are three main synthesis methods of 2-tert-butylaniline: 1. Reduction of corresponding nitro compounds; 2. Ammoniation of tert-butylbenzene; 3. Friedel-Crafts alkylation of aniline. |
| preparation | weigh 11.18g(0.12mol) of aniline, 0.48mol of tert-butyl alcohol and 5g of commercially available AlCl3 into a ML reaction kettle, nitrogen gas was used to continuously replace the air in the kettle for 5 times. After heating the reaction solution to 165 ℃, the mechanical stirring was turned on, and the reaction was started at a rotation speed of 900rpm, the reaction temperature was maintained within ± 1 °c of the desired reaction temperature. After the reaction was completed for 4H, the stirring was turned off, the reaction solution was cooled down, and the catalyst was separated by centrifugation. By distillation and chromatography, the purity of 98% 2-tert-butylaniline was obtained. |
Last Update：2024-04-09 02:00:10
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