3-Cyano-4-fluorobenzoic acid

Basic Information

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CAS Number

171050-06-9

Molecular Formula

C8H4FNO2

Molecular Weight

165.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

180-182°C

Boiling Point

322.4℃ at 760 mmHg

Density

1.42

Flash Point

148.8°C

Refractive Index

1.564

SMILES

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C1=CC(=C(C=C1C(=O)O)C#N)F

InChI

InChI=1S/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)

InChIKey

JMHGATOBRPWPBZ-UHFFFAOYSA-N

Complexity

233

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

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

Synonyms & References

English

3-cyano-4-fluorobenzoic acid
CS-0035061
171050-06-9
DTXSID10378782
AKOS015912376
Z1255365356
AMY30751
EN300-126507
FT-0687138
JMHGATOBRPWPBZ-UHFFFAOYSA-N
SCHEMBL356343
CS-WAA0109
MFCD03094339
Benzoic acid, 3-cyano-4-fluoro-
3-cyano-4-fluoro-benzoic Acid
SY013919
3-Cyano-4-fluorobenzoicacid
PS-6754
4-Fluoro-3-cyanobenzoic acid
3-cyano-4-fluorobenzoic acid, AldrichCPR
AC-26032
cyano-4-fluorobenzoic acid
A20252
3-Cyano-4-fluorobenzoic acid
3-Cyano-4-fluoro-benzoic acid
5-Carboxy-2-fluorobenzonitrile
AC1MCNOG
Benzoicacid, 3-cyano-4-fluoro-
CTK0H3624
PubChem4601
SureCN356343

MDL Number

MFCD03094339

FAQ

What are the physical and chemical properties of 3-Cyano-4-fluorobenzoic acid (CAS: 171050-06-9)?

3-Cyano-4-fluorobenzoic acid is a crystalline compound with a molecular weight of 172.04 g/mol. It has a high solubility in polar solvents such as water and ethanol. The compound is moderately reactive towards nucleophiles and can undergo various synthetic transformations. It is slightly acidic and can form salts with bases.

How is 3-Cyano-4-fluorobenzoic acid (CAS: 171050-06-9) typically synthesized?

3-Cyano-4-fluorobenzoic acid can be synthesized through the reaction of 4-fluorobenzoic acid and acyl cyanide. The reaction is typically carried out in a suitable solvent, with the use of a catalyst to enhance the reaction rate. The product is isolated by recrystallization and can be obtained with a yield of around 75-80%.

What industries use 3-Cyano-4-fluorobenzoic acid (CAS: 171050-06-9)?

3-Cyano-4-fluorobenzoic acid is used in the pharmaceutical industry for intermediate synthesis, in the production of dyes and pigments, and in the chemical industry for the manufacture of various organic compounds. It is also used in the development of sensors and as a building block in the synthesis of other functional materials.

What precautions should be taken when handling 3-Cyano-4-fluorobenzoic acid (CAS: 171050-06-9)?

When handling 3-Cyano-4-fluorobenzoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab 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 cleaned up immediately using appropriate methods and materials. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.