2,4-Dichloro-5-fluorobenzoic acid

Basic Information

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CAS Number

86522-89-6

Molecular Formula

C7H3Cl2FO2

Molecular Weight

209 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

142.0 to 146.0 deg-C

Boiling Point

311.7°C at 760 mmHg

Density

1.5231 (estimate)

Flash Point

142.3°C

SMILES

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OC(=O)c1cc(F)c(Cl)cc1Cl

InChI

InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)

InChIKey

KZCWJHUTTSVCRO-UHFFFAOYSA-N

LogP

2.8307

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

188

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,4-Dichloro-5-fluorobenzoic acid
2,4,5,6-TETRACHLOROPHENOL
2,4-dichloro-5-fluoro-benzoic acid
2,4-Dichloro-5-fluorobenzoicacid
Benzoic acid, 2,4-dichloro-5-fluoro-
2,4-dichloro-5-fluoro benzoic acid
PubChem1338
CDS1_000104
Maybridge1_002392
KSC448A5P
DivK1c_001144
RARECHEM AL BE 1219
HMS548E16
KZCWJHUTTSVCRO-UHFFFAOYSA-N
2 4-dichloro-5-fluorobenzoic acid
STL557523
SBB003459
CL8012
BBL103713
Benzoicacid, 2,4-dichloro-5-fluoro-
2,4-dichloro-5-fluorobenzoic acid

MDL Number

MFCD00075281

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-5-fluorobenzoic acid (CAS: 86522-89-6)?

2,4-Dichloro-5-fluorobenzoic acid (CAS: 86522-89-6) is a crystalline solid with a molecular weight of approximately 220.02 g/mol. It has a melting point of 228-230°C and is slightly soluble in water, with a solubility of about 0.5 g/L at 25°C. The compound is known for its reactivity, particularly towards nucleophilic substitution and electrophilic aromatic substitution reactions.

How is 2,4-Dichloro-5-fluorobenzoic acid (CAS: 86522-89-6) typically synthesized?

2,4-Dichloro-5-fluorobenzoic acid is typically synthesized by the reaction of 4-chloro-5-fluorobenzoic acid with chlorine gas. The reaction involves chlorination at the 2-position, followed by the removal of the hydrogen from the carboxylic acid group to form the acid chloride intermediate, which is then hydrolyzed to yield the desired product. The use of aluminum chloride as a catalyst can improve the selectivity and yield of the reaction.

What industries use 2,4-Dichloro-5-fluorobenzoic acid (CAS: 86522-89-6)?

2,4-Dichloro-5-fluorobenzoic acid is primarily used in the pharmaceutical and chemical industries. It serves as an intermediate in the synthesis of various drugs and organic compounds. Additionally, it is utilized in the production of certain analytical reagents and as a component in the development of sensors and semiconductors.

What precautions should be taken when handling 2,4-Dichloro-5-fluorobenzoic acid (CAS: 86522-89-6)?

When handling 2,4-Dichloro-5-fluorobenzoic acid (CAS: 86522-89-6), appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a laboratory coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, they should be properly contained and disposed of according to safety data sheet (SDS) guidelines. Always ensure adequate ventilation and handle the compound in a well-ventilated fume hood to minimize inhalation risks.