2-Fluoro-5-methylbenzoic acid

Basic Information

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CAS Number

321-12-0

Molecular Formula

C8H7FO2

Molecular Weight

154.14 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

159.0 to 164.0 deg-C

Boiling Point

259.2 °C at 760 mmHg

Density

1.258

Flash Point

110.6℃

Refractive Index

1.532

SMILES

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CC1=CC(=C(C=C1)F)C(=O)O

InChI

InChI=1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

UREMNBHWTNQTMS-UHFFFAOYSA-N

LogP

1.8323199999999997

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

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

Synonyms & References

English

2-Fluoro-5-methylbenzoic acid, 99%
J-018635
2-Fluoro-5-methylbenzoicacid
2-Fluoro-5-methyl-benzoic acid;2-Fluoro-5-methylbenzoic acid
2-Fluoro-5-Methyl-Benzoic Acid
SCHEMBL87104
Z732710380
NSC51779
DTXSID40287616
EN300-64143
AM20060239
2-Fluoro-5-methyl benzoic acid
SY016924
6-Fluoro-m-toluic Acid
2-Fluoro-5-methylbenzoic acid
InChI=1/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11
UREMNBHWTNQTMS-UHFFFAOYSA-N
NSC-51779
FS-1346
A5779
CS-W019919
AKOS000298676
AC-3976
321-12-0
MFCD00092819
F0426
FT-0600986
2-FLUORO-5-METHYLBENZOIC ACID
2-Fluor-5-methyl-benzoesaeure
2-fluoro-5-methylbenzoic aicd
3-Fluoro-4-Methoxyaniline

MDL Number

MFCD00092819

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-Fluoro-5-methylbenzoic acid (CAS: 321-12-0)?

2-Fluoro-5-methylbenzoic acid (CAS: 321-12-0) is a white solid with a molecular weight of approximately 160.04 g/mol. It has a melting point of 128-129°C and is slightly soluble in water. Chemically, it shows typical reactivity for carboxylic acids, including esterification and acylation reactions. It is also prone to electrophilic aromatic substitution reactions.

How is 2-Fluoro-5-methylbenzoic acid (CAS: 321-12-0) typically synthesized?

2-Fluoro-5-methylbenzoic acid is commonly synthesized through the bromination of 5-methylbenzoic acid followed by the removal of the bromine atom in the presence of a suitable reducing agent like sodium sulfide. Other methods involve the direct fluorination of 5-methylbenzoic acid using fluorine gas under controlled conditions.

What industries use 2-Fluoro-5-methylbenzoic acid (CAS: 321-12-0)?

2-Fluoro-5-methylbenzoic acid (CAS: 321-12-0) is used in the pharmaceutical industry for the synthesis of certain drugs, as a precursor in polymer synthesis, and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Fluoro-5-methylbenzoic acid (CAS: 321-12-0)?

When handling 2-Fluoro-5-methylbenzoic acid (CAS: 321-12-0), it is important to wear personal protective equipment (PPE) including gloves and safety goggles. The substance should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate waste disposal procedures, and the Safety Data Sheet (SDS) should be consulted for specific handling instructions.