Methyl 4-(1-bromoethyl)benzoate

Basic Information

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CAS Number

16281-97-3

Molecular Formula

C10H11BrO2

Molecular Weight

243.1 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C10H11BrO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,1-2H3

InChIKey

IXZOUWPYWNKWCX-UHFFFAOYSA-N

LogP

2.929100000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Benzoic acid, 4-(1-bromoethyl)-, methyl ester
Methyl 4-(1-bromoethyl)benzoate
AK159832
4-(1-bromo-ethyl)-benzoic acid methyl ester
IXZOUWPYWNKWCX-UHFFFAOYSA-N
methyl 4-(alpha-bromoethyl)benzoate
methyl r,s-4-(1-bromoethyl)-benzoate
FCH1375806
4-(1-Bromoethyl)benzoic acid methyl ester
AX8293089
ST24047867
SY032889
133446-40-9
DTXSID20492140
AMY16232
DA-45933
Methyl4-(1-bromoethyl)benzoate
16281-97-3
SCHEMBL198552
DS-9693
MFCD18452043
AKOS015969624

MDL Number

MFCD18452043

FAQ

What are the physical and chemical properties of Methyl 4-(1-bromoethyl)benzoate (CAS: 16281-97-3)?

Methyl 4-(1-bromoethyl)benzoate (CAS: 16281-97-3) is a white crystalline solid with a molecular weight of approximately 250.03 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. This compound is reactive, particularly under basic conditions, and can undergo nucleophilic substitution reactions.

How is Methyl 4-(1-bromoethyl)benzoate (CAS: 16281-97-3) typically synthesized?

Methyl 4-(1-bromoethyl)benzoate is commonly synthesized via the reaction of 4-(1-hydroxyethyl)benzoic acid with bromomethyl ketone in the presence of a base such as sodium hydroxide. The reaction yields a high selectivity and good yield, making it a reliable method for preparing this compound.

What industries use Methyl 4-(1-bromoethyl)benzoate (CAS: 16281-97-3)?

Methyl 4-(1-bromoethyl)benzoate (CAS: 16281-97-3) is used in the pharmaceutical industry for the synthesis of various compounds, and in the polymer industry for specific applications requiring brominated functionalities. It is also relevant in the production of sensors and semiconductors due to its brominated structure.

What precautions should be taken when handling Methyl 4-(1-bromoethyl)benzoate (CAS: 16281-97-3)?

Proper Personal Protective Equipment (PPE), including gloves and safety goggles, is essential when handling Methyl 4-(1-bromoethyl)benzoate (CAS: 16281-97-3). Work should be conducted in a well-ventilated fume hood. In case of spills, neutralize with an appropriate acid and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.