2-Fluoro-6-methylbenzoic acid

Basic Information

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CAS Number

90259-27-1

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

124-128°C

Boiling Point

257.7°C at 760 mmHg

SMILES

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

InChI

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

InChIKey

WELNSIYTQJSNRP-UHFFFAOYSA-N

LogP

1.8323200000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

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

2-Fluoro-6-methylbenzoic acid
C8H7FO2
6-fluoro-2-methylbenzoic acid
2-Fluoro-6-methylbenzoicacid
Benzoic acid, 2-fluoro-6-methyl-
2-fluoro-6-methyl-benzoic acid
PubChem1331
KSC494K9P
2-Methyl-6-fluorobenzoic acid
6-FLUORO-O-TOLUIC ACID
Benzoic acid,2-fluoro-6-methyl-
WELNSIYTQJSNRP-UHFFFAOYSA-N
2-CARBOXY-3-FLUOROTOLUENE
WT158
SBB062993
CL8048
LF10845
CM12763
AS00945
2-(A
2-Fluoro-6-methylbenzoic acid (ACI)
2-fluoro-6-methylbenzoic acid
FS-2195
AC-3218
DB-005245
SCHEMBL544028
MFCD06658162
DTXSID00541786
2-fluoro-6-methylbenzoic acid, AldrichCPR
J-509497
SY004929

MDL Number

MFCD06658162

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-Fluoro-6-methylbenzoic acid (CAS: 90259-27-1)?

2-Fluoro-6-methylbenzoic acid is a white to off-white crystalline solid with a molecular weight of approximately 170.12 g/mol. It has a limited aqueous solubility and is soluble in organic solvents such as ethanol and acetone. Chemically, it is moderately reactive towards bases and nucleophiles, making it suitable for various chemical transformations.

How is 2-Fluoro-6-methylbenzoic acid (CAS: 90259-27-1) typically synthesized?

2-Fluoro-6-methylbenzoic acid is commonly synthesized via the chlorination of 6-methylbenzoic acid followed by hydrolysis with a fluoride source such as sodium fluoride. The reaction is typically carried out under acidic conditions and yields a 95% pure product with excellent selectivity.

What industries use 2-Fluoro-6-methylbenzoic acid (CAS: 90259-27-1)?

2-Fluoro-6-methylbenzoic acid finds applications in the pharmaceutical industry, where it is used as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for the development of functional polymers and in the semiconductor industry for the fabrication of electronic devices.

What precautions should be taken when handling 2-Fluoro-6-methylbenzoic acid (CAS: 90259-27-1)?

When handling 2-Fluoro-6-methylbenzoic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, immediate cleanup should be performed using appropriate absorbents, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.