3-Fluorobenzoic acid

Basic Information

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CAS Number

455-38-9

Molecular Formula

C7H5FO2

Molecular Weight

140.11 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

121.0 to 125.0 deg-C

Boiling Point

226.1°C (rough estimate)

Water Solubility

Very soluble in water.

Flash Point

105.7℃

Solubility

1.5g/l

SMILES

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

InChI

InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

MXNBDFWNYRNIBH-UHFFFAOYSA-N

LogP

1.5239

pKa

3.86(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

136

Safety Information

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GHS Hazard Pictograms

H315

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AM61542
Benzoic acid, 3-fluoro-
MFCD00002489
AE-562/40187179
m-Fluorobenzoic acid
HY-W015753
InChI=1/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10
NSC-10320
NS00043529
Q18472686
SY002150
3-Fluorobenzoate
3-FluorobenzoicAcid
NSC10320
EN300-20215
meta-Fluorobenzoic acid
3-Fluoro-Benzoic Acid
Benzoic acid, m-fluoro-
DTXSID4060020
SCHEMBL28396
AC7508
A826841
NSC 10320
3-Fluorobenzoic acid, 97%
Q-200379
455-38-9
CHEMBL302365
CS-W016469
EINECS 207-248-0
F2191-0061
UNII-ELG54JFF34

MDL Number

MFCD00002489

Customs Code

29163900

FAQ

What is 3-Fluorobenzoic acid (CAS: 455-38-9)?

3-Fluorobenzoic acid (CAS: 455-38-9) is an aromatic carboxylic acid with the chemical formula C7H5FO2. It has a molecular weight of 144.11 g/mol and appears as a white crystalline solid. This compound is known for its strong acidic properties and is commonly used in organic synthesis due to its reactivity and functional group versatility.

What are the main uses of 3-Fluorobenzoic acid (CAS: 455-38-9)?

3-Fluorobenzoic acid (CAS: 455-38-9) is primarily used in pharmaceutical research for the development of drugs targeting metabolic disorders and inflammation. It also finds applications in the synthesis of dyes, agrochemicals, and materials with specific functional properties. Its utility in chemical research is further supported by its role as a building block for various derivatives.

Is 3-Fluorobenzoic acid (CAS: 455-38-9) safe?

3-Fluorobenzoic acid (CAS: 455-38-9) is generally considered safe when handled properly, but it can be irritating to the skin and eyes. Safety data sheets recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to follow standard chemical safety protocols to ensure safe handling and minimize exposure risks.

How should 3-Fluorobenzoic acid (CAS: 455-38-9) be stored?

3-Fluorobenzoic acid (CAS: 455-38-9) should be stored in a cool, dry place away from light. It is best kept in a sealed, airtight container to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability and prevent degradation. Avoid exposure to incompatible substances during storage.