2-Bromo-1,3-diethyl-5-methylbenzene

Basic Information

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CAS Number

314084-61-2

Molecular Formula

C11H15Br

Molecular Weight

227.14 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

259 ºC

Flash Point

109 ºC

SMILES

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CCc1cc(C)cc(CC)c1Br

InChI

InChI=1S/C11H15Br/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5H2,1-3H3

InChIKey

QWIITRRSNVBPDK-UHFFFAOYSA-N

LogP

3.8823200000000035

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

2-Bromo-1,3-diethyl-5-methylbenzene
2,6-DIETHYL-4-METHYLBROMOBENZENE
2,6-diethyl－4-methyl-bromobenzene
benzene, 2-bromo-1,3-diethyl-5-methyl-
LogP
2,6-Diethyl-4-methyl-1-bromobenzene
2,6-Diethyl-4-methylphenyl bromide

MDL Number

MFCD16036168

FAQ

What are the physical and chemical properties of 2-Bromo-1,3-diethyl-5-methylbenzene (CAS: 314084-61-2)?

2-Bromo-1,3-diethyl-5-methylbenzene (CAS: 314084-61-2) is a crystalline solid with a high melting point. It has a molecular weight of approximately 261.07 g/mol. This compound is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. It is moderately reactive towards nucleophiles due to the electron-withdrawing bromine atom and the electron-donating alkyl groups.

How is 2-Bromo-1,3-diethyl-5-methylbenzene (CAS: 314084-61-2) typically synthesized?

2-Bromo-1,3-diethyl-5-methylbenzene can be synthesized via a bromination reaction of 1,3-diethyl-5-methylbenzene with N-bromosuccinimide (NBS) in the presence of an azobisisobutyronitrile (AIBN) initiator. The reaction is typically carried out in an inert atmosphere to avoid side reactions. The yield and selectivity can be optimized by adjusting the reaction conditions such as temperature and solvent choice.

What industries use 2-Bromo-1,3-diethyl-5-methylbenzene (CAS: 314084-61-2)?

2-Bromo-1,3-diethyl-5-methylbenzene (CAS: 314084-61-2) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It is also utilized in the polymer industry for modifying polymer properties and in the sensor industry for developing gas-sensing materials. Additionally, it serves as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 2-Bromo-1,3-diethyl-5-methylbenzene (CAS: 314084-61-2)?

When handling 2-Bromo-1,3-diethyl-5-methylbenzene (CAS: 314084-61-2), it is crucial to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and laboratory coats. Work in a well-ventilated area or a fume hood to minimize inhalation exposure. In case of a spill, neutralize the spill with an appropriate agent and dispose of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.