2-Bromo-4-tert-butylaniline
- CAS NO.:103273-01-4
- Empirical Formula: C10H14BrN
- Molecular Weight: 228.13
- MDL number: MFCD00052693
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-08 14:31:18
What is 2-Bromo-4-tert-butylaniline?
Chemical properties
Yellow liquid
The Uses of 2-Bromo-4-tert-butylaniline
2-Bromo-4-tert-butylaniline is commonly employed in organic synthesis for the production of various compounds, including 8-Bromo-6-tert-butylquinoline. It can also be used in the production of dyes and pigments, pharmaceutical intermediates, and agrochemicals.
Preparation
4-(tert-butyl)aniline (50.0 g, 335.1 mmol), dissolved in 1.1 L of acetonitrile, was added to a flask. After cooling the mixture to 0 ℃, NBS (59.6 g, 335.1 mmol) was added and the temperature was raised to room temperature for 12 hours. After that, water (800 mL) was added, extracted with dichloromethane, and the solvent was concentrated under reduced pressure. The dichloromethane (700 mL) was added to the mixture, washed with 400 mL of 2N NaOH, filtered through a silica pad, and the solvent was concentrated under reduced pressure to obtain 2-Bromo-4-tert-butylaniline.
Hazard
H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (33.33%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (33.33%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties of 2-Bromo-4-tert-butylaniline
Boiling point: | 265°C(lit.) |
Density | 1.306±0.06 g/cm3(Predicted) |
refractive index | 1.5680 to 1.5720 |
storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
pka | 2.86±0.10(Predicted) |
form | clear liquid |
color | Colorless to Red to Green |
InChI | InChI=1S/C10H14BrN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3 |
CAS DataBase Reference | 103273-01-4(CAS DataBase Reference) |
Safety information for 2-Bromo-4-tert-butylaniline
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 2-Bromo-4-tert-butylaniline
InChIKey | OLKYFBNIFKQRIZ-UHFFFAOYSA-N |
SMILES | C1(N)=CC=C(C(C)(C)C)C=C1Br |
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