[4-(Trifluoromethyl)phenyl]acetic acid

Basic Information

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CAS Number

32857-62-8

Molecular Formula

C9H7F3O2

Molecular Weight

204.15 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

Basic Physical Properties

Melting Point

82-85 °C

Boiling Point

263.1°C at 760 mmHg

Flash Point

112.9±25.9 °C

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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C1=CC(=CC=C1CC(=O)O)C(F)(F)F

InChI

InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

InChIKey

HNORVZDAANCHAY-UHFFFAOYSA-N

LogP

2.3325000000000005

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

205

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

WRH9JL4FEE
F2191-0126
[4-(trifluoromethyl)phenyl]acetic acid
(alpha,alpha,alpha-Trifluoro-p-tolyl)acetic acid
p-(TRIFLUOROMETHYL)PHENYLACETIC ACID
NS00055403
2-(4-(trifluoromethyl)phenyl)acetic acid
AC-4201
W-106814
4-(Trifluoromethyl)phenylacetic acid, 97%
(alpha,alpha,alpha-trifluoro-p-tolyl) acetic acid
AM20040180
2-(4-trifluoromethylphenyl)acetic acid
4-(Trifluoromethyl)phenylacetic acid
4-trifluoromethylphenyl acetic acid
4-trifluoromethy lphenyl acetic acid
4-(trifluoromethyl)-phenylacetic acid
AKOS000268944
(4-trifluoromethyl-phenyl)-acetic acid
Q63408698
p-Trifluoromethylphenylacetic acid
4-Trifluoromethylphenylacetic acid
DTXSID40186514
SCHEMBL267205
T1783
(ALPHA,ALPHA,ALPHA-TRIFLUORO-PARA-TOLYL)ACETIC ACID
Z166651274
FS-1033
32857-62-8
EINECS 251-263-5
(.alpha.,.alpha.,.alpha.-Trifluoro-p-tolyl)-acetic acid

MDL Number

MFCD00004352

Customs Code

2916399090

FAQ

What are the physical and chemical properties of [4-(Trifluoromethyl)phenyl]acetic acid (CAS: 32857-62-8)?

[4-(Trifluoromethyl)phenyl]acetic acid is a white or light yellow crystalline solid with a molecular weight of approximately 252.10 g/mol. It has a melting point of 125-128°C and is slightly soluble in water but soluble in common organic solvents like chloroform and acetone. It is a weak acid and exhibits typical reactivity for carboxylic acids, such as esterification and acylation reactions.

How is [4-(Trifluoromethyl)phenyl]acetic acid (CAS: 32857-62-8) typically synthesized?

[4-(Trifluoromethyl)phenyl]acetic acid can be synthesized by reacting 4-(trifluoromethyl)benzaldehyde with acetic anhydride in the presence of a catalytic amount of acid, such as sulfuric acid. The reaction is typically performed at room temperature and yields a 90% pure product. The reaction is selective and produces a single diastereomer, with good yield.

What industries use [4-(Trifluoromethyl)phenyl]acetic acid (CAS: 32857-62-8)?

[4-(Trifluoromethyl)phenyl]acetic acid finds application in the pharmaceutical industry for the synthesis of various drug molecules due to its unique substituent. It is also used in the polymer industry as a monomer for the synthesis of fluorinated polymers. Additionally, it is employed in the production of sensors and semiconductors for its electronic properties.

What precautions should be taken when handling [4-(Trifluoromethyl)phenyl]acetic acid (CAS: 32857-62-8)?

When handling [4-(Trifluoromethyl)phenyl]acetic acid, wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Ensure proper storage in a cool, dry place away from heat and incompatible materials. In case of spill, neutralize any acid with a basic solution and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and disposal methods.