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HomeProduct name list1-Bromo-2-(1-methylethyl)benzene

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
1-Bromo-2-(1-methylethyl)benzene Structural

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.
1-Bromo-2-(1-methylethyl)benzene synthesis

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)
ghs
Exclamation Mark
Irritant
GHS07
ghs
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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