1-Bromo-4-ethoxy-2-methylbenzene

Basic Information

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CAS Number

68155-69-1

Molecular Formula

C9H11BrO

Molecular Weight

215.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

129 ºC (10 Torr)

Density

1.324±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

111.2±7.8 ºC,

Refractive Index

1.5461 (20 ºC)

SMILES

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CCOC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C9H11BrO/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6H,3H2,1-2H3

InChIKey

YDVQAAWPYJCMHH-UHFFFAOYSA-N

LogP

3.156220000000002

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

116

Synonyms & References

English

SY271526
EN300-1894119
2-bromo-5-ethoxytoluene
68155-69-1
Benzene, 1-bromo-4-ethoxy-2-methyl-
A867112
DTXSID3071195
DS-18224
EINECS 268-982-5
D82407
YDVQAAWPYJCMHH-UHFFFAOYSA-N
1-bromo-4-ethoxy-2-methylbenzene
1-Bromo-3-ethoxytoluene
MFCD18917736
AKOS015998918
CS-0151471
NS00036456
SCHEMBL1539314
1-Bromo-2-methyl-4-ethoxybenzene
1-Bromo-4-ethoxy-2-methylbenzene
1-bromo-3-ethoxytoluene
4-Bromo-3-methylphenetole
BC005141
ST2403381
W7841

MDL Number

MFCD18917736

FAQ

What are the physical and chemical properties of 1-Bromo-4-ethoxy-2-methylbenzene (CAS: 68155-69-1)?

1-Bromo-4-ethoxy-2-methylbenzene is a crystalline solid with a molecular weight of approximately 243.22 g/mol. It has a low water solubility and is slightly soluble in common organic solvents such as ethanol and acetone. This compound is known for its reactivity towards nucleophiles and its stability under basic conditions. It is often used in organic synthesis as a brominating agent.

How is 1-Bromo-4-ethoxy-2-methylbenzene (CAS: 68155-69-1) typically synthesized?

1-Bromo-4-ethoxy-2-methylbenzene is typically synthesized via a bromination reaction of 4-ethoxy-2-methylbenzene using bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction is carried out under anhydrous conditions to minimize side reactions. The yield is generally good, and the product is isolated by standard purification techniques such as recrystallization.

What industries use 1-Bromo-4-ethoxy-2-methylbenzene (CAS: 68155-69-1)?

1-Bromo-4-ethoxy-2-methylbenzene is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry as a monomer precursor. Additionally, it finds applications in the production of organic semiconductors and as a reagent in analytical chemistry for the preparation of analytical standards.

What precautions should be taken when handling 1-Bromo-4-ethoxy-2-methylbenzene (CAS: 68155-69-1)?

When handling 1-Bromo-4-ethoxy-2-methylbenzene, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. In case of a spill, neutralize the bromine-containing waste with a sodium thiosulfate solution before disposal. Safety data sheets (SDS) should be consulted for detailed information on safety measures and emergency procedures.