2-Fluorobenzoic acid

Basic Information

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CAS Number

445-29-4

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

122-125 °C

Boiling Point

244.7°C at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

109℃

Solubility

7.2g/l

SMILES

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

InChI

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

InChIKey

NSTREUWFTAOOKS-UHFFFAOYSA-N

LogP

1.5239

pKa

3.27(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

136

Safety Information

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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

o-Fluorbenzoesaeure
NSC-10319
ortho-Fluorobenzoic acid
BRN 0971265
C02359
EN300-18334
AI3-33424
WLN: QVR BF
4-09-00-00950 (Beilstein Handbook Reference)
Q-200284
F2191-0059
SCHEMBL97828
Benzoic acid, 2-fluoro-
CHEMBL114383
FT-0668608
NSC10319
o-Fluorobenzoic acid
NSC 10319
2-Fluoro-Benzoic Acid
UNII-64UZ32KOO4
Benzoic acid, fluoro-
o-Fluorbenzoesaeure [German]
Q27109225
InChI=1/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10
CS-W019975
FT-0612411
DTXSID1060001
CHEBI:19577
fluorobenzoic acid
10.14272/NSTREUWFTAOOKS-UHFFFAOYSA-N
BS-3794

MDL Number

MFCD00002405

Customs Code

2916399090

FAQ

What is 2-Fluorobenzoic acid (CAS: 445-29-4)?

2-Fluorobenzoic acid (CAS: 445-29-4) is an aromatic carboxylic acid with the chemical formula C7H5FO2. It is a white crystalline solid with a sharp melting point and is commonly used in organic synthesis. Its structure includes a fluorine atom at the para position relative to the carboxylic acid group, making it a valuable intermediate in the development of pharmaceuticals and agrochemicals.

What are the main uses of 2-Fluorobenzoic acid (CAS: 445-29-4)?

2-Fluorobenzoic acid (CAS: 445-29-4) is widely used in pharmaceutical research for the synthesis of drugs, particularly in the development of antifungal and anti-inflammatory agents. It also finds applications in the production of dyes, pesticides, and other industrial chemicals. In research settings, it serves as a key building block for creating more complex organic molecules.

Is 2-Fluorobenzoic acid (CAS: 445-29-4) safe?

2-Fluorobenzoic acid (CAS: 445-29-4) is generally considered safe when handled properly. However, it may cause skin and eye irritation, and inhalation of its vapors can be harmful. Safety data sheets recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to follow safety standards to minimize exposure and ensure safe handling in both industrial and laboratory environments.

How should 2-Fluorobenzoic acid (CAS: 445-29-4) be stored?

2-Fluorobenzoic acid (CAS: 445-29-4) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or stainless steel to prevent contamination. Storage conditions should maintain a temperature below 25°C and avoid high humidity to ensure stability and prolong shelf life.