4-Chloro-3,5-difluorobenzoic acid

Basic Information

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CAS Number

1160573-19-2

Molecular Formula

C7H3ClF2O2

Molecular Weight

192.55 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C7H3ClF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12)

InChIKey

PVIHLHXXVCVGTP-UHFFFAOYSA-N

LogP

2.3164000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

176

Synonyms & References

English

4-Chloro-3,5-difluorobenzoic acid
SY065801
4-Chloro-3,5-difluorobenzoicacid
DB-332160
A893651
1160573-19-2
AKOS006315674
Benzoic acid, 4-chloro-3,5-difluoro-
MFCD11554154
CS-0159842
SCHEMBL1001361
4-Chloro-3,5-difluoro-benzoic acid
JS-5100

MDL Number

MFCD11554154

FAQ

What are the physical and chemical properties of 4-Chloro-3,5-difluorobenzoic acid (CAS: 1160573-19-2)?

4-Chloro-3,5-difluorobenzoic acid is a solid crystalline compound with a molecular weight of approximately 228.01 g/mol. It has a melting point of 180-182°C and is slightly soluble in water. Chemically, it is less reactive than other aromatic carboxylic acids but can undergo typical carboxylic acid reactions such as esterification, amide formation, and reduction. It is stable under normal storage conditions but should be protected from moisture.

How is 4-Chloro-3,5-difluorobenzoic acid (CAS: 1160573-19-2) typically synthesized?

4-Chloro-3,5-difluorobenzoic acid can be synthesized via the Friedel-Crafts alkylation of 3,5-difluorobenzoic acid with chlorine in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction yields a high purity product with good yield. Other methods include direct substitution of fluorinated benzene derivatives with chlorinating agents under appropriate conditions.

What industries use 4-Chloro-3,5-difluorobenzoic acid (CAS: 1160573-19-2)?

4-Chloro-3,5-difluorobenzoic acid is used in various industries, particularly in the pharmaceuticals and fine chemicals sector for the synthesis of intermediates and active pharmaceutical ingredients. It also finds application in the agrochemical industry, where it can be used in the development of herbicides and pesticides. Additionally, it is utilized in the production of polymers and sensors due to its chemical properties.

What precautions should be taken when handling 4-Chloro-3,5-difluorobenzoic acid (CAS: 1160573-19-2)?

When handling 4-Chloro-3,5-difluorobenzoic acid, safety gloves and goggles should be worn. It is advisable to conduct reactions in a fume hood to minimize exposure to vapors. Proper ventilation is essential to prevent inhalation. Spills should be cleaned up carefully, and contaminated materials should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.