4-Bromo-2-chloro-5-fluorobenzoic acid

Basic Information

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CAS Number

64742-95-6

Molecular Formula

C7H3BrClFO2

Molecular Weight

253.45 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

SMILES

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c1c(c(cc(c1F)Br)Cl)C(=O)O

InChI

InChI=1S/C7H3BrClFO2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)

InChIKey

TZFKKLGCVKORLS-UHFFFAOYSA-N

LogP

2.939800000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

Solvent naphtha (petroleum), light arom.
C9-10 AROMATIC HYDROCARBONS
aromatic naphtha, type I
LIGHTAROMATICSOLVENTNAPHTHA
HIGHFLASHAROMATICNAPHTHA
SHELLSOLA
Losungsmittelnaphtha (Erdol), leichte aromatische
Aromatic hydrocarbon solvents: (High flash naphtha distillates: Solvent naphtha (petroleum), light aromatic)
SOLVENT NAPHTA LEICHT
SOLVESSO 100
Aromatics solvent
Aromatic solvent
Aromatics solvent oil
Solvent naphtha (petroleum) light arom
4-Brom-2-chlor-5-fluorbenzoesäure
4-Bromo-2-chloro-5-fluorobenzoic acid
Acide 4-bromo-2-chloro-5-fluorobenzoïque
Benzoic acid, 4-bromo-2-chloro-5-fluoro-
(R)-2-Amino-1,1,1-trifluoropropanehydrochloride
4-bromo-2-chloro-5-fluoro-benzoic Acid
4-Bromo-2-Chloro-5-Fluorobenzoic Acid (en)
4-bromo-2-chloro-5-fluorobenzoic acid(rs20012140)
4-bromo-2-chloro-5-fluorobenzoic acid, 98%
4-BROMO-2-CHLORO-5-FLUOROBENZOICACID
AC1MC543
ACMC-1C1Y0
AGN-PC-0KK7O1
BR-53856
http://en.atomaxchem.com/177480-81-8.html
MolPort-001-778-161
OS-2072

FAQ

What are the physical and chemical properties of 4-Bromo-2-chloro-5-fluorobenzoic acid (CAS: 64742-95-6)?

4-Bromo-2-chloro-5-fluorobenzoic acid is a crystalline solid with a molecular weight of approximately 267.02 g/mol. It has a low solubility in water (0.3 g/L at 20°C) but dissolves well in organic solvents like ethanol and acetonitrile. This compound is known for its reactivity, particularly towards nucleophilic substitution reactions at the aromatic ring.

How is 4-Bromo-2-chloro-5-fluorobenzoic acid (CAS: 64742-95-6) typically synthesized?

4-Bromo-2-chloro-5-fluorobenzoic acid is synthesized via an electrophilic aromatic substitution route. A common method involves bromination of 2-chloro-5-fluorobenzoic acid with bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. The yield can be increased by optimizing reaction conditions and using a suitable solvent.

What industries use 4-Bromo-2-chloro-5-fluorobenzoic acid (CAS: 64742-95-6)?

4-Bromo-2-chloro-5-fluorobenzoic acid is used in pharmaceuticals for the synthesis of intermediates and in analytical chemistry for sensor applications. Its role in polymer synthesis and semiconductor manufacturing is also recognized, but on a smaller scale compared to pharmaceutical and analytical uses.

What precautions should be taken when handling 4-Bromo-2-chloro-5-fluorobenzoic acid (CAS: 64742-95-6)?

When handling 4-Bromo-2-chloro-5-fluorobenzoic acid, use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, well-ventilated area. Work in a fume hood to minimize exposure. In case of a spill, immediately clean up using appropriate absorbents, and refer to the Safety Data Sheet (SDS) for detailed instructions.