1-Bromo-3,5-diethylbenzene

Basic Information

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CAS Number

90267-03-1

Molecular Formula

C10H13Br

Molecular Weight

213.11 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCC1=CC(=CC(=C1)Br)CC

InChI

InChI=1S/C10H13Br/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7H,3-4H2,1-2H3

InChIKey

GJZCXWCBZPSQEV-UHFFFAOYSA-N

LogP

3.5739000000000027

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

99.4

Synonyms & References

English

1-Bromo-3,5-diethylbenzene
1-Bromo-3,5-diethylbenzene (ACI)
1-bromo-3,5-diethylbenzene
AKOS005257323
3,5-diethyl-1-bromobenzene
MFCD08062420
Benzene, 1-bromo-3,5-diethyl-
90267-03-1
1-Bromo-3,5-diethyl benzene
DB-005704
CS-0152534
1-bromo-3,5-diethyl-benzene
SCHEMBL1437868
DTXSID00474762
GJZCXWCBZPSQEV-UHFFFAOYSA-N
CL8619
FS-4377
3,5-Diethylbromobenzene

MDL Number

MFCD08062420

FAQ

What are the physical and chemical properties of 1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1)?

1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1) is a crystalline solid with a molecular weight of approximately 224.18 g/mol. It has a low solubility in water but is soluble in organic solvents like benzene and toluene. The compound is less reactive compared to halobenzenes with strong electrophiles and undergoes nucleophilic substitution reactions selectively. It has a melting point of around 75-77°C and a boiling point of approximately 210-212°C.

How is 1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1) typically synthesized?

1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1) is usually synthesized through a bromination reaction of 3,5-diethylbenzene using bromine in the presence of a Lewis acid catalyst like aluminum bromide. The reaction is carried out under anhydrous conditions to ensure high yield and selectivity. The process is typically performed in an organic solvent like dichloromethane. The yield is around 85-90%, and the method provides good control over product purity.

What industries use 1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1)?

1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various medicinal compounds and is also used in the production of polymers and plasticizers. The compound is also explored in the field of sensor technology for its potential as a chemical sensor material.

What precautions should be taken when handling 1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1)?

When handling 1-Bromo-3,5-diethylbenzene (CAS: 90267-03-1), it is crucial to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry, and well-ventilated area away from direct sunlight. In the event of a spill, it should be immediately contained and cleaned up using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for specific handling and disposal guidelines.