[3-(Trifluoromethyl)phenyl]acetic acid

Basic Information

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CAS Number

351-35-9

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

76.0 to 79.0 deg-C

Boiling Point

251.8℃ at 760 mmHg

Density

1.3570

Flash Point

106.1℃

SMILES

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

InChI

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

InChIKey

BLXXCCIBGGBDHI-UHFFFAOYSA-N

LogP

2.3325000000000005

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

213

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

2-(3-(trifluoromethyl)phenyl) acetic acid
m-(trifluoromethyl)phenylacetic acid
2-[3-(trifluoromethyl)phenyl]acetic acid
m-(Trifluoromethyl)phenylacetic acid;2-(3-(Trifluoromethyl)phenyl)acetic acid
F2191-0127
(alpha,alpha,alpha-Trifluoro-3-tolyl)acetic acid
m-Trifluoromethylphenylacetic acid
SY016805
(M-TRIFLUOROMETHYLPHENYL)ACETIC ACID
T1662
3-(TRIFLUOROMETHYL)-BENZENEACETIC ACID
(3-trifluoromethylphenyl)acetic acid
Q63392136
BLXXCCIBGGBDHI-UHFFFAOYSA-
AE-562/13465019
3-trifluoromethyl-phenylacetic acid
PS-8154
NS00042102
Z104477770
Benzeneacetic acid, 3-(trifluoromethyl)-
W-106691
IMHITUUBIYPNNC-UHFFFAOYSA-N
3-trifluoromethylphenyl acetic acid
MFCD00004339
CS-W015433
(a,a,a-trifluoro-m-tolyl)acetic acid
3-TRIFLUOROMETHYLBENZENEACETIC ACID
[3-(trifluoromethyl)phenyl]acetic acid
AC-25733
FL2Q5QY24R
351-35-9

MDL Number

MFCD00004339

Customs Code

2916399090

FAQ

What are the physical and chemical properties of [3-(Trifluoromethyl)phenyl]acetic acid (CAS: 351-35-9)?

The physical properties of [3-(Trifluoromethyl)phenyl]acetic acid include a white to off-white crystalline solid with a molecular weight of 228.13 g/mol. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is a weak acid and exhibits moderate reactivity in organic synthesis, particularly in esterification and coupling reactions.

How is [3-(Trifluoromethyl)phenyl]acetic acid (CAS: 351-35-9) typically synthesized?

Common synthesis methods for [3-(Trifluoromethyl)phenyl]acetic acid involve the reaction of 3-(trifluoromethyl)benzaldehyde with acetic anhydride in the presence of a suitable catalyst, such as thionyl chloride or acetic acid. This process yields the desired product with good selectivity and moderate to high yield. The exact conditions vary depending on the specific catalyst and reaction conditions used.

What industries use [3-(Trifluoromethyl)phenyl]acetic acid (CAS: 351-35-9)?

The compound [3-(Trifluoromethyl)phenyl]acetic acid is used in various industries, including pharmaceuticals for development of drug candidates, polymers for specialized applications, and sensors for detecting certain chemicals or biological agents. Its unique physical and chemical properties make it valuable in these sectors.

What precautions should be taken when handling [3-(Trifluoromethyl)phenyl]acetic acid (CAS: 351-35-9)?

When handling [3-(Trifluoromethyl)phenyl]acetic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Fume hoods should be used when performing reactions to minimize inhalation of vapors. In case of a spill, avoid contact with skin and eyes, and follow standard laboratory safety procedures. Refer to the Material Safety Data Sheet (MSDS/SDS) for detailed guidelines.