Methyl 4-bromo-2-methylbenzoate

Basic Information

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CAS Number

99548-55-7

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 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

Physical State

Colorless to Yellow Liquid

Boiling Point

273.6℃ at 760 mmHg

SMILES

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CC1=C(C=CC(=C1)Br)C(=O)OC

InChI

InChI=1S/C9H9BrO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3

InChIKey

CYEXEOXALMJXDI-UHFFFAOYSA-N

LogP

2.5441200000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

CS-W003703
CYEXEOXALMJXDI-UHFFFAOYSA-N
methyl 4-bromobenzoic acid methyl ester
SCHEMBL187447
EN300-60092
methyl 4-bromo-2-methylbenzoate
Methyl 4-bromo-methylbenzoate
99548-55-7
AM804636
AB55602
FT-0647529
4-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER
DTXSID10621806
Z444299188
MFCD09954957
4-bromo-2-methylbenzoic acid, methyl ester
3-(3-Nitroguanidino)propyl acetate
methyl4-bromo-2-methyl-benzoate
SY008012
AKOS007930562
Benzoic Acid,4-Bromo-2-Methyl-,Methyl Ester
J-522318
GS-4229
Methyl-4-Bromo-2-Methylbenzoate
methyl 4-bromo-2-methyl-benzoate
4-bromo-2-methylbenzoic acid methyl ester
Benzoic acid, 4-bromo-2-methyl-, methyl ester
Methyl 4-bromo-2-methylbenzoate
BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER
methyl4-bromo-2-methylbenzoate
2-METHYL-4-BROMO BENZOIC ACID METHYL ESTER

MDL Number

MFCD09954957

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7)?

Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7) is a crystalline compound with a molecular weight of approximately 236.04 g/mol. It has a low solubility in water (0.01 g/100 mL at 20°C) but is more soluble in organic solvents like ethanol and acetone. This compound is relatively stable but can react with strong bases. It is commonly used in organic synthesis and as a starting material in various chemical processes.

How is Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7) typically synthesized?

Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7) is typically synthesized by the reaction of 2-methylbenzoic acid with bromine in the presence of a catalyst like iron(III) bromide. The reaction yields a high selectivity for the brominated product with a good overall yield. This process is controlled in anhydrous conditions to avoid side reactions.

What industries use Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7)?

Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7) is used primarily in the pharmaceutical and fine chemical industries due to its versatile nature and reactivity. It can serve as a precursor in the synthesis of various compounds, including drugs and organic intermediates. Additionally, it is used in the polymer and sensor industries for specific applications requiring bromine functionality.

What precautions should be taken when handling Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7)?

When handling Methyl 4-bromo-2-methylbenzoate (CAS: 99548-55-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be managed by professional clean-up procedures. Always consult the Safety Data Sheet (SDS) for specific handling and disposal information.