Methyl 4-(bromomethyl)benzoate

Basic Information

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CAS Number

2417-72-3

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

Melting Point

54.0 to 57.0 deg-C

Boiling Point

130-135 °C/2 mmHg

Water Solubility

Lowly soluble in water, highly soluble in ethanol and ether, not soluble in halogenated organic solvents

Flash Point

130-135°C/2mm

Refractive Index

1.5320 (estimate)

SMILES

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

InChI

InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3

InChIKey

NLWBJPPMPLPZIE-UHFFFAOYSA-N

LogP

2.3681

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

151

Safety Information

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GHS Hazard Pictograms

H301

H314

H334

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

AC-4378
EN300-18210
F1019-0028
p-bromomethylbenzoic acid methyl ester
4-(bromomethyl)benzoic acid, methyl ester
AB7470
4-methoxy carbonyl benzyl bromide
methy 4-(bromomethyl) benzoate
p-(Methoxycarbonyl)benzyl bromide
NSC 83959
p-Toluic acid, alpha-bromo-, methyl ester
methyl 4- (bromomethyl)benzoate
methyl 4-bromomethyl benzoate
Q-102004
p-methoxycarbonylbenzyl bromide
NSC83959
CS-W008845
DTXSID4049406
FT-0616713
methyl4-(bromomethyl)benzoate
methyl-4(bromomethyl)benzoate
4-(bromo-methyl)benzoic acid methyl ester
AB01315911-02
B2053
UNII-C9GY6V54X6
4bromomethyl-benzoic acid methyl ester
Benzoic acid, 4-(bromomethyl)-, methyl ester
Methyl 4-(bromomethyl)benzoate
CHEMBL3183843
MFCD00032453
Tox21_202815

MDL Number

MFCD00032453

Customs Code

2916399090

FAQ

What is Methyl 4-(bromomethyl)benzoate (CAS: 2417-72-3)?

Methyl 4-(bromomethyl)benzoate is an organic compound with the chemical formula C9H9BrO2. It is a brominated ester derived from benzoic acid and methanol, featuring a bromomethyl group attached to the benzene ring. The compound is known for its aromatic structure and reactivity, making it a valuable intermediate in organic synthesis. It appears as a colorless to pale yellow liquid and is soluble in organic solvents.

What are the main uses of Methyl 4-(bromomethyl)benzoate (CAS: 2417-72-3)?

Methyl 4-(bromomethyl)benzoate is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of agrochemicals and specialty chemicals. Due to its reactivity, it is commonly employed in organic reactions such as nucleophilic substitutions and coupling reactions. Its versatility makes it useful in various industrial and research settings.

Is Methyl 4-(bromomethyl)benzoate (CAS: 2417-72-3) safe?

Methyl 4-(bromomethyl)benzoate is considered hazardous due to its potential to cause skin and eye irritation. It should be handled with appropriate personal protective equipment, such as gloves and goggles, and in a well-ventilated area. Safety data sheets recommend avoiding inhalation and ingestion. Proper disposal and adherence to safety standards are essential to minimize risks in laboratory and industrial environments.

How should Methyl 4-(bromomethyl)benzoate (CAS: 2417-72-3) be stored?

Methyl 4-(bromomethyl)benzoate should be stored in a cool, dry, and dark location, away from moisture and incompatible substances. It is best kept in a sealed, airtight container at a temperature below 25°C. Storage should be in a well-ventilated area to prevent accumulation of vapors. Keep out of reach of children and ensure proper labeling for safe handling.