2-(4-Fluorophenyl)-2-methylpropanoic acid

Basic Information

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CAS Number

93748-19-7

Molecular Formula

C10H11FO2

Molecular Weight

182.19 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

Boiling Point

268.8±15.0 ºC (760 Torr),

Density

1.175±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

116.3±20.4 ºC,

SMILES

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

InChI

InChI=1S/C10H11FO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)

InChIKey

IOSAIRIBZLAABD-UHFFFAOYSA-N

LogP

2.1879

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

193

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(4-Fluorophenyl)-2-methylpropanoic acid
2-(4-Fluorophenyl)-2-methylpropionic acid
4-Fluoro-α,α-dimethylbenzeneacetic acid (ACI)
2-(4-fluorophenyl)-2-methylpropanoic acid
SY023511
2-(4-fluorophenyl)-2-methylpropanoicacid
93748-19-7
BCP10072
BS-24617
Z725146444
2-(4-fluoro-phenyl)-2-methyl-propionic acid
SCHEMBL1421745
AC7352
CS-0094468
IOSAIRIBZLAABD-UHFFFAOYSA-N
DTXSID20603193
EN300-68812
MFCD11036916
AKOS000745559

MDL Number

MFCD11036916

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-(4-Fluorophenyl)-2-methylpropanoic acid (CAS: 93748-19-7)?

2-(4-Fluorophenyl)-2-methylpropanoic acid is a white to off-white crystalline solid with a molecular weight of approximately 227.21 g/mol. It is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. Chemically, the compound is moderately reactive, especially with bases, and can undergo esterification and amide formation reactions.

How is 2-(4-Fluorophenyl)-2-methylpropanoic acid (CAS: 93748-19-7) typically synthesized?

2-(4-Fluorophenyl)-2-methylpropanoic acid is synthesized through a multistep process involving Friedel-Crafts alkylation and subsequent hydrolysis. Commonly, methylbenzene is treated with benzoyl chloride in the presence of aluminum chloride to form benzoylmethylbenzene. Further processing, including hydrogen fluoride mediation, yields the fluoro derivative, which is then hydrolyzed to obtain the desired acid.

What industries use 2-(4-Fluorophenyl)-2-methylpropanoic acid (CAS: 93748-19-7)?

2-(4-Fluorophenyl)-2-methylpropanoic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various medications. It also finds applications in the polymer industry for enhancing certain properties of polymers, and in sensor technology for specific chemical detection due to its fluorophore functionality.

What precautions should be taken when handling 2-(4-Fluorophenyl)-2-methylpropanoic acid (CAS: 93748-19-7)?

When handling 2-(4-Fluorophenyl)-2-methylpropanoic acid, it is essential to wear adequate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.