1-Bromo-2-(1-methylethyl)benzene
- CAS NO.:7073-94-1
- Empirical Formula: C9H11Br
- Molecular Weight: 199.09
- MDL number: MFCD00051567
- EINECS: 230-370-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-08 16:30:38
What is 1-Bromo-2-(1-methylethyl)benzene?
Synthesis
1-Bromo-2-(1-methylethyl)benzene is synthesised using 1-bromo-2-isopropenylbenzene as a raw material by chemical reaction. The specific synthesis steps are as follows:
General procedure: The mixture of S-3 (1 equivalent), TsNHNH2 (5 equivalent), NaOAc·3H2O (5equivalent), and THF (0.3 M) were heated at reflux for 24 h. When the reaction wascomplete as determined by TLC, cooling to room temperature and adding H2O. Thecrude mixture was extracted with EtOAc (3x20 mL) and the combined organicextracts were washed with brine, dried over anhydrous Na2SO4, and concentrated invacuo. The crude was then purified by column chromatography (Petroleum ether) onsilicagel to give 1-Bromo-2-(1-methylethyl)benzene as a colorless oil.
Properties of 1-Bromo-2-(1-methylethyl)benzene
Melting point: | -58.8°C |
Boiling point: | 90 °C |
Density | 1.30 |
refractive index | 1.5410 |
Flash point: | 90-92°C/15mm |
storage temp. | Sealed in dry,Room Temperature |
form | clear liquid |
Specific Gravity | 1.30 |
color | Colorless to Light orange to Yellow |
Water Solubility | Insoluble in water. |
BRN | 1857014 |
InChI | InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3 |
CAS DataBase Reference | 7073-94-1(CAS DataBase Reference) |
NIST Chemistry Reference | Benzene, 1-bromo-2-(1-methylethyl)-(7073-94-1) |
Safety information for 1-Bromo-2-(1-methylethyl)benzene
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 Environment GHS09 |
GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H401:Hazardous to the aquatic environment, acute hazard H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see … on this label). 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. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for 1-Bromo-2-(1-methylethyl)benzene
InChIKey | LECYCYNAEJDSIL-UHFFFAOYSA-N |
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product: 7073-94-1 2-BROMO ISO PROPYL BENZENE 98%
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