Methyl 3-bromo-4-isopropylbenzoate

Basic Information

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CAS Number

318528-55-1

Molecular Formula

C11H13BrO2

Molecular Weight

257.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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O=C(OC)C1=CC=C(C(C)C)C(Br)=C1

InChI

InChI=1S/C11H13BrO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-7H,1-3H3

InChIKey

KVBRRJZVELPSOL-UHFFFAOYSA-N

LogP

3.3591000000000024

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

204

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Methyl 3-bromo-4-isopropylbenzoate
methyl 3-bromo-4-propan-2-ylbenzoate
methyl 3-bromanyl-4-propan-2-yl-benzoate

MDL Number

MFCD11112995

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 3-bromo-4-isopropylbenzoate (CAS: 318528-55-1)?

Methyl 3-bromo-4-isopropylbenzoate is a crystalline compound with a molecular weight of approximately 277.04 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and chloroform. This compound is reactive, particularly towards nucleophiles, and can undergo electrophilic aromatic substitution reactions. It is commonly used as an intermediate in organic synthesis.

How is Methyl 3-bromo-4-isopropylbenzoate (CAS: 318528-55-1) typically synthesized?

Methyl 3-bromo-4-isopropylbenzoate can be synthesized through bromination of 4-isopropylbenzoic acid followed by esterification. The process involves reacting 4-isopropylbenzoic acid with bromine in the presence of a base such as sodium hydroxide or potassium hydroxide, and then treating the resulting bromobenzoic acid with methyl alcohol in the presence of an acid catalyst like sulfuric acid.

What industries use Methyl 3-bromo-4-isopropylbenzoate (CAS: 318528-55-1)?

Methyl 3-bromo-4-isopropylbenzoate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for the production of certain polymers. Additionally, it has applications in the sensor and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling Methyl 3-bromo-4-isopropylbenzoate (CAS: 318528-55-1)?

When handling Methyl 3-bromo-4-isopropylbenzoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and proper spill response procedures.