Methyl 4-bromobenzoate

Basic Information

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CAS Number

619-42-1

Molecular Formula

C8H7BrO2

Molecular Weight

215.05 g/mol

EINECS

210-596-6

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

White

Melting Point

77-81 °C

Boiling Point

252.95°C (rough estimate)

Density

1,689 g/cm3

Water Solubility

Insoluble in water.

Flash Point

112.4℃

Solubility

Chloroform (Slightly), Methanol (Slightly)

Refractive Index

1.5500 (estimate)

Vapor Pressure

0.0±0.5 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChIKey

CZNGTXVOZOWWKM-UHFFFAOYSA-N

LogP

2.2356999999999996

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

139

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 P-BROMOBENZOATE
B0556
FT-0617866
SCHEMBL7623
SY001702
IDI1_015113
GS-3045
Methyl 4-bromobenzoate
UB1YSJ5XAR
4-Bromo-benzoic acid methyl ester
NSC 9392
AC-19470
4-bromo benzoic acid methyl ester
Benzoic acid, 4-bromo-, methyl ester
1643577-32-5
UNII-UB1YSJ5XAR
CS-W004846
W-105074
4-bromobenzoicacid methyl ester
Z19682625
4-METHOXYCARBONYLPHENYL BROMIDE
F3095-4305
DTXSID7060702
Maybridge3_003726
methyl 4-bromo-benzoate
A8567
Methyl p-bromo benzoate
EN300-44164
4-Bromobenzoic acid, methyl ester
AE-848/01025045
p-Bromobenzoic acid methyl ester

MDL Number

MFCD00013531

EC Number

210-596-6

Customs Code

29163990

FAQ

What is Methyl 4-bromobenzoate (CAS: 619-42-1)?

Methyl 4-bromobenzoate is an organic compound with the chemical formula C8H8BrO2. It is a derivative of benzoic acid, where the hydroxyl group is replaced by a methyl group and a bromine atom is attached to the fourth carbon of the benzene ring. This compound is commonly used in chemical synthesis and exhibits moderate solubility in organic solvents. It is a white crystalline solid at room temperature and has a characteristic aromatic odor.

What are the main uses of Methyl 4-bromobenzoate (CAS: 619-42-1)?

Methyl 4-bromobenzoate is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in the fragrance and flavor industry due to its aromatic properties. Additionally, it is used in organic chemistry for functional group modifications and in the production of dyes and pesticides. Its utility in chemical synthesis makes it a valuable compound in research and industrial settings.

Is Methyl 4-bromobenzoate (CAS: 619-42-1) safe?

Methyl 4-bromobenzoate is generally considered safe when handled properly, but it should be treated with caution. It may cause skin and eye irritation, and prolonged exposure can be harmful. Safety standards recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, during handling. It is also important to follow proper ventilation and storage guidelines to minimize risks.

How should Methyl 4-bromobenzoate (CAS: 619-42-1) be stored?

Methyl 4-bromobenzoate should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container to prevent moisture absorption and contamination. Storage conditions should maintain temperatures below 25°C and humidity levels below 60%. Ensure it is stored in a chemical-resistant container to preserve stability and prolong shelf life.