Methyl 4-bromo-2,6-difluorobenzoate

Basic Information

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CAS Number

773134-11-5

Molecular Formula

C8H5BrF2O2

Molecular Weight

251.03 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

41-43℃

Boiling Point

276.1℃ at 760 mmHg

SMILES

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COC(=O)C1=C(C=C(C=C1F)Br)F

InChI

InChI=1S/C8H5BrF2O2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3

InChIKey

JBXJLZRTTCGLNR-UHFFFAOYSA-N

LogP

2.5139000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

189

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

methyl-4-bromo-2,6-difluorobenzoate
Methyl 4-bromo-2,6-difluorobenzoate
773134-11-5
EN300-6477517
JBXJLZRTTCGLNR-UHFFFAOYSA-N
4-BROMO-2,6-DIFLUOROBENZOIC ACID METHYL ESTER
AKOS015835502
SY056799
AM84014
MFCD06204169
SCHEMBL517686
DTXSID00649953
A9786
AC-30057
AB23217
CL8560
methyl4-bromo-2,6-difluorobenzoate
CS-0018767
DS-15860
FT-0646540
4-Bromo-2,6-difluorobenzoic acid methyl ester
Benzoic acid,4-bromo-2,6-difluoro-, methyl ester
RARECHEM AL BF 1306
KSC496E7R
FC1127
methyl 2,6-difluoro-4-bromobenzoate
methyl 4-bromo-2,6-difluoro-benzoate
AS02418
TRA0064133
methyl 4-bromo-2,6-difluorobenzoate

MDL Number

MFCD06204169

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 4-bromo-2,6-difluorobenzoate (CAS: 773134-11-5)?

Methyl 4-bromo-2,6-difluorobenzoate is a crystalline solid with a molecular weight of approximately 300.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dichloromethane. This compound is relatively stable under normal conditions but can react with reducing agents. It is used in organic synthesis, particularly in the preparation of other brominated and fluorinated compounds.

How is Methyl 4-bromo-2,6-difluorobenzoate (CAS: 773134-11-5) typically synthesized?

Methyl 4-bromo-2,6-difluorobenzoate can be synthesized by reacting 2,6-difluorobenzoic acid with methyl bromide in the presence of an appropriate base like sodium hydride. The reaction is carried out under anhydrous conditions to achieve high yield and selectivity. This method is commonly used in academic and industrial settings for the preparation of functionalized benzoic acid derivatives.

What industries use Methyl 4-bromo-2,6-difluorobenzoate (CAS: 773134-11-5)?

Methyl 4-bromo-2,6-difluorobenzoate is used in the pharmaceutical industry for the synthesis of intermediates in drug development. It is also utilized in the production of fluorinated polymers, which are important in the electronics and semiconductors industry. Additionally, it finds applications in the development of sensors and other chemical reagents.

What precautions should be taken when handling Methyl 4-bromo-2,6-difluorobenzoate (CAS: 773134-11-5)?

When handling Methyl 4-bromo-2,6-difluorobenzoate, it is essential 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 to fumes. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.