4-Bromo-3,5-difluorobenzoic acid

Basic Information

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CAS Number

651027-00-8

Molecular Formula

C7H3BrF2O2

Molecular Weight

237 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

181-185℃

SMILES

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

InChI

InChI=1S/C7H3BrF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12)

InChIKey

NLLRAEQVOZOSBB-UHFFFAOYSA-N

LogP

2.4255000000000004

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

176

Synonyms & References

English

4-Bromo-3,5-difluorobenzoic acid, AldrichCPR
SCHEMBL4338424
4-Bromo-3,5-difluorobenzoic acid
DTXSID60465479
Benzoic acid, 4-bromo-3,5-difluoro-
CS-0028265
EN300-171067
SY036158
CL9597
AC-28620
MFCD18917156
AKOS016006471
651027-00-8
DS-16524
4-Bromo-3,5-difluorobenzoicacid
AGN-PC-008UHA
AK-82192
ANW-67771
CTK2A0033
KB-123469
SureCN4338424
3,5-Difluoro-4-bromobenzoic acid
9961AB
ST24043413
4-bromo-3,5-difluorobenzoic acid

MDL Number

MFCD18917156

FAQ

What are the physical and chemical properties of 4-Bromo-3,5-difluorobenzoic acid (CAS: 651027-00-8)?

4-Bromo-3,5-difluorobenzoic acid is a white crystalline solid with a molecular weight of 255.03 g/mol. It has a pKa of 4.5 and is only slightly soluble in water. The compound is highly reactive due to its functional groups and bromine substituent. It can undergo reactions such as esterification and bromination.

How is 4-Bromo-3,5-difluorobenzoic acid (CAS: 651027-00-8) typically synthesized?

4-Bromo-3,5-difluorobenzoic acid is typically synthesized through a two-step process: first, 3,5-difluorobenzoic acid is brominated, and then the resulting bromide is converted to the carboxylic acid. Common reagents include bromine and a Lewis acid catalyst like aluminum bromide.

What industries use 4-Bromo-3,5-difluorobenzoic acid (CAS: 651027-00-8)?

4-Bromo-3,5-difluorobenzoic acid is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the production of organic semiconductors and sensors. It is also utilized in the preparation of polymers with specific electronic properties.

What precautions should be taken when handling 4-Bromo-3,5-difluorobenzoic acid (CAS: 651027-00-8)?

Proper handling of 4-Bromo-3,5-difluorobenzoic acid requires the use of chemical protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood due to its reactive nature. Spills should be cleaned up with caution, and the Material Safety Data Sheet (MSDS) should be consulted for specific procedures. Ensure proper ventilation and avoid inhalation or contact with skin and eyes.