2,3-Difluoro Benzoic Acid

Basic Information

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CAS Number

4519-39-5

Molecular Formula

C7H4F2O2

Molecular Weight

158.1 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

161.0 to 164.0 deg-C

Boiling Point

248.1°C at 760 mmHg

Flash Point

103.9℃

SMILES

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

InChI

InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

InChIKey

JLZVIWSFUPLSOR-UHFFFAOYSA-N

LogP

1.663

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

161

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2,3-Difluorobenzoic acid
SCHEMBL365453
BCP26993
D2058
DTXSID90871084
PS-8817
CS-W007697
2,3-Difluorobenzoic acid, 98%
AM20060100
difluorobenzoic acid
J-506961
2,3 difluorobenzoic acid
AKOS005254889
Z959143646
MFCD00010267
FT-0655206
2,3-difluoro-benzoic acid
FT-0609612
BP-12438
EN300-61019
4519-39-5
SY012745
AC-3948
CHEMPACIFIC 39931
BUTTPARK 45\01-40
TIMTEC-BB SBB006679
RARECHEM AL BO 0251
2,3-Difluorobenzoic
benzoic acid, 2,3-difluoro-
JLZVIWSFUPLSOR-UHFFFAOYSA-N
difluorobenzoic acid;

MDL Number

MFCD00010267

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2,3-Difluoro Benzoic Acid (CAS: 4519-39-5)?

2,3-Difluoro Benzoic Acid (CAS: 4519-39-5) is a white crystalline solid with a molecular weight of approximately 181.06 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is a weak acid and can undergo reactions typical of carboxylic acids, such as esterification and amide formation. It is relatively stable under normal conditions but can decompose when exposed to strong bases or high temperatures.

How is 2,3-Difluoro Benzoic Acid (CAS: 4519-39-5) typically synthesized?

2,3-Difluoro Benzoic Acid is typically synthesized by the fluoride substitution of benzoic acid. This can be achieved through the reaction of benzoic acid with a fluoride source like hydrogen fluoride (HF) or trifluoromethanesulfonic acid (TFMSA) in the presence of a Lewis acid catalyst, such as aluminum chloride (AlCl₃). The reaction is exothermic and requires careful control to maintain high yield and selectivity.

What industries use 2,3-Difluoro Benzoic Acid (CAS: 4519-39-5)?

2,3-Difluoro Benzoic Acid (CAS: 4519-39-5) is used in various industries. It is an important intermediate in the synthesis of pharmaceuticals, particularly in the development of drugs targeting specific enzymes and receptors. It is also utilized in the production of polymers for specialized applications, as well as in the manufacture of sensors and components for the semiconductor industry.

What precautions should be taken when handling 2,3-Difluoro Benzoic Acid (CAS: 4519-39-5)?

When handling 2,3-Difluoro Benzoic Acid (CAS: 4519-39-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to prevent inhalation of any fumes. In case of a spill, it should be thoroughly cleaned up, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.