3-Chloro-4-Fluorobenzoic Acid

Basic Information

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CAS Number

403-16-7

Molecular Formula

C7H4ClFO2

Molecular Weight

174.56 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

Melting Point

133.0 to 137.0 deg-C

Boiling Point

287.4℃ at 760 mmHg

Flash Point

127.6℃

SMILES

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C1=CC(=C(C=C1C(=O)O)Cl)F

InChI

InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)

InChIKey

PKTSBFXIHLYGEY-UHFFFAOYSA-N

LogP

2.1773

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

163

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Fluoro-3-chlorobenzoic acid
4-fluoro-3-chlorobenzoyl acid
3-Chloro-4-fluorobenzoic acid, 95%
DTXSID70334521
403-16-7
InChI=1/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11
3 -chloro-4-fluorobenzoic acid
AB01330484-02
AKOS000109351
F0001-1140
SY005155
SCHEMBL109599
BS-3948
A19978
3-Chloro-4-fluorobenzoic acid
1-chloro-3-fluorobezene
AC-3930
Benzoic acid, 3-chloro-4-fluoro-
EN300-104562
CS-W018495
NS00124387
Z1203161796
BB 0244801
MFCD00042477
3-chloro4-fluorobenzoic acid
AM61515
NCGC00337066-01
3-chloro-4-fluoro-benzoic acid
3-Chloro-4-Fluorobenzoicacid
FT-0615386
3-chloro-4-fluorobenzioc acid

MDL Number

MFCD00042477

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7)?

3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7) is a crystalline solid with a molecular weight of approximately 186.01 g/mol. It has a melting point of around 247°C and a boiling point of about 350°C. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and chloroform. It exhibits moderate acidity and has reducing properties, making it reactive in various chemical reactions.

How is 3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7) typically synthesized?

3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7) can be synthesized through the chlorination of 4-fluorobenzoic acid using thionyl chloride, followed by recrystallization. This process provides a yield of about 85-90% with good selectivity. The reaction is typically carried out under anhydrous conditions to avoid side reactions.

What industries use 3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7)?

3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of chemical intermediates for polymers and sensors. Additionally, it can be employed as a reagent in analytical chemistry for developing analytical methods and as a component in semiconductor fabrication processes.

What precautions should be taken when handling 3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7)?

When handling 3-Chloro-4-Fluorobenzoic Acid (CAS: 403-16-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a fume hood to prevent inhalation. In case of a spill, neutralize the acid with a base and dispose of the waste in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.