Methyl [4-(bromomethyl)phenyl]acetate

Basic Information

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CAS Number

7398-42-7

Molecular Formula

C10H11BrO2

Molecular Weight

243.1 g/mol

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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COC(=O)CC1=CC=C(C=C1)CBr

InChI

InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3

InChIKey

APXOMRFLJBRHNX-UHFFFAOYSA-N

LogP

2.2970000000000006

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

162

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

4-bromomethylphenyl acetic acid methyl ester
Methyl [4-(bromomethyl)phenyl]acetate
SY059274
methyl[4-(bromomethyl)phenyl]acetate
APXOMRFLJBRHNX-UHFFFAOYSA-N
(4-Bromomethyl-phenyl)-acetic acid methyl ester
FT-0616716
4-Bromomethylphenylacetic acid methyl ester
DTXSID30472231
Methyl 2-(4-(bromomethyl)phenyl)acetate
BCP24402
Methyl 2-[4-(bromomethyl)phenyl]acetate
Benzeneacetic acid, 4-(bromomethyl)-, methyl ester
SCHEMBL334884
methyl (4-bromomethyl-phenyl)acetate
Methyl 4-(bromomethyl)phenylacetate
CS-M2747
Methyl2-(4-(bromomethyl)phenyl)acetate
AKOS015951139
methyl 4-bromomethylphenylacetate
4-(Bromomethyl)phenylaceticacidphenacylester
2-(4-(bromomethyl)phenyl)acetic acid methyl ester
(4-Bromomethylphenyl)acetic acid methyl ester
MFCD07783030
AS-18529
EN300-100852
Methyl 2-(4-bromomethyl-phenyl)-acetate
AM1171
7398-42-7
methyl 2-[4-(bromomethyl)phenyl]acetate
METHYL 4-(BROMOMETHYL)PHENYLACETATE

MDL Number

MFCD07783030

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7)?

Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7) is a clear to amber liquid with a molecular weight of approximately 270.07 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, especially under basic conditions. It may undergo hydrolysis and substitution reactions.

How is Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7) typically synthesized?

Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7) can be synthesized by reacting 4-bromomethylbenzaldehyde with acetic anhydride. The process typically employs a catalytic amount of a Lewis acid such as aluminum trichloride to improve the yield and selectivity. The reaction is conducted under anhydrous conditions to avoid hydrolysis of the bromomethyl group.

What industries use Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7)?

Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7) is primarily used in the pharmaceutical industry for the synthesis of medicinal compounds. It is also utilized in the polymer industry as a monomer for various specialty polymers. Additionally, it has applications in the sensor and semiconductor industries for certain chemical sensing and material modification processes.

What precautions should be taken when handling Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7)?

When handling Methyl [4-(bromomethyl)phenyl]acetate (CAS: 7398-42-7), it is important 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 minimize inhalation risk. Spills should be immediately cleaned up using appropriate absorbents, and the area should be flushed with water. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.