Difluoro(phenyl)acetic acid

Basic Information

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CAS Number

360-03-2

Molecular Formula

C8H6F2O2

Molecular Weight

172.13 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

65-75 °C

Boiling Point

0°C

Density

1.3730

Flash Point

0°C

Refractive Index

1.491

SMILES

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

InChI

InChI=1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)

InChIKey

PFKSLFZFBCIJOI-UHFFFAOYSA-N

LogP

1.8630000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

174

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

360-03-2
A,A-Difluorophenylacetic acid
,-Difluorobenzeneacetic acid
2,2-Difluoro-2-phenylacetic acid; Difluorophenylacetic acid; alpha,alpha-Difluorophenylacetic acid
AKOS001015550
2,2-Difluoro-2-phenylaceticacid
difluorophenylacetic acid
A,
alpha , alpha -Difluorophenylacetic acid
J-506791
PS-8681
A-Difluorophenylacetic acid
SY006827
Maybridge1_002109
Z56770330
2,2-Difluoro-2-phenylacetic acid; Difluorophenylacetic acid; ,-Difluorophenylacetic acid
Benzeneacetic acid, a,a-difluoro-
difluoro-phenyl-acetic acid
AMY14759
2,2-difluoro-2-phenylacetic acid
AB06356
difluoro(phenyl)acetic acid
alpha,alpha-difluorobenzeneacetic acid
SCHEMBL354556
alpha,alpha-difluorophenylacetic acid
EN300-29700
MFCD00498146
alpha,alpha-Difluorophenylacetic acid, 97%
HMS547H19
PhCF2CO2H

MDL Number

MFCD00498146

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Difluoro(phenyl)acetic acid (CAS: 360-03-2)?

Difluoro(phenyl)acetic acid (CAS: 360-03-2) is a white crystalline solid with a molecular weight of approximately 184.05 g/mol. It has a low solubility in water (2.56 g/L at 20°C) but is more soluble in organic solvents like ethanol and dichloromethane. The compound is relatively stable under normal conditions but can react with strong bases to form the corresponding salts. It is a carboxylic acid and can undergo typical acid-base reactions.

How is Difluoro(phenyl)acetic acid (CAS: 360-03-2) typically synthesized?

Difluoro(phenyl)acetic acid (CAS: 360-03-2) is typically synthesized via the Friedel-Crafts acylation of a phenyl derivative with acetyl chloride in the presence of aluminum chloride as a catalyst. The reaction involves the introduction of the acetyl group onto the phenyl ring followed by the subsequent conversion to the carboxylic acid function. This process provides good yield and high selectivity.

What industries use Difluoro(phenyl)acetic acid (CAS: 360-03-2)?

Difluoro(phenyl)acetic acid (CAS: 360-03-2) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals and agrochemicals due to its reactivity. Additionally, it is utilized in the polymer industry for the development of special polymers and in the semiconductor industry for the production of photoresists and other electronic materials. Its use in sensors and as a ligand in coordination chemistry is also reported.

What precautions should be taken when handling Difluoro(phenyl)acetic acid (CAS: 360-03-2)?

When handling Difluoro(phenyl)acetic acid (CAS: 360-03-2), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be used in a fume hood to minimize exposure to fumes. Spills should be carefully cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions. Storage should be in a cool, dry place away from incompatible materials.