Methyl 4-bromo-3-fluorobenzoate

Basic Information

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CAS Number

849758-12-9

Molecular Formula

C8H6BrFO2

Molecular Weight

233.04 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

61.0 to 65.0 deg-C

Boiling Point

270.1℃ at 760 mmHg

SMILES

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COC(=O)c1ccc(Br)c(F)c1

InChI

InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3

InChIKey

WDAFDKXHLVMFKA-UHFFFAOYSA-N

LogP

2.3748000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Methyl 4-bromo-3-fluorobenzoate
Benzoicacid, 4-bromo-3-fluoro-, methyl ester
METHYL 4-BROMO-3-FLUOROBENZOATE 98
4-Bromo-3-fluorobenzoic Acid Methyl Ester
Benzoic acid, 4-bromo-3-fluoro-, methyl ester
4-bromo-3-fluoro-benzoic acid methyl ester
methyl 4-bromo-3-fluoro-benzoate
WDAFDKXHLVMFKA-UHFFFAOYSA-N
RW1171
CL8562
SBB098026
AS02424
VZ36315
METHYL 3-FLUORO-4-BROMOBENZOATE
methyl 4-bromo-3-fluorobenzoate

MDL Number

MFCD08436044

Customs Code

2916399090

FAQ

What is Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9)?

Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9) is an organic compound with the molecular formula C9H7BrFO2. It is a bromo fluoro benzene derivative with methyl ester functionality. This compound is characterized by its high boiling point and low solubility in water. It is used in pharmaceuticals and chemical synthesis as an intermediate.

What are the main uses of Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9)?

Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9) is primarily used as a precursor in the synthesis of various pharmaceuticals and organic compounds. It plays a crucial role in the development of new drugs and as an intermediate in chemical reactions.

Is Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9) safe?

Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9) can be safe if handled with appropriate precautions. It is important to use personal protective equipment (PPE) such as gloves and goggles. Ventilation should be adequate to avoid inhaling vapors. Storage in a cool, dry, and well-ventilated area is recommended.

How should Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9) be stored?

Methyl 4-bromo-3-fluorobenzoate (CAS: 849758-12-9) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and contamination. Proper labeling and secure storage are essential to ensure safety and maintain the compound's integrity.