(2,6-Difluorophenyl)acetic acid

Basic Information

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CAS Number

85068-28-6

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

99.0 to 103.0 deg-C

Boiling Point

219°C (rough estimate)

Density

1.3010 (estimate)

SMILES

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OC(=O)Cc1c(F)cccc1F

InChI

InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

FUGDCKXBUZFEON-UHFFFAOYSA-N

LogP

1.5919

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

162

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

2,6-Difluorophenylacetic acid
2-(2,6-difluorophenyl)acetic acid
2,6-DIFLUORO-BENZENE ACETIC ACID
2,6-Difluorobenzeneaceticacid
Benzeneacetic acid, 2,6-difluoro-
(2,6-Difluorophenyl)acetic acid
2,6-Difluorophenylaceticacid
FUGDCKXBUZFEON-UHFFFAOYSA-N
Q63392937
PubChem8397
2,6-difluorophenyl acetic acid
RARECHEM AL BO 0249
BDBM16428
SBB006631
WT1650
2,6-Difluorophenylacetic a

MDL Number

MFCD00010001

Customs Code

29163900

FAQ

What are the physical and chemical properties of (2,6-Difluorophenyl)acetic acid (CAS: 85068-28-6)?

(2,6-Difluorophenyl)acetic acid is a crystalline solid with a molecular weight of approximately 184.12 g/mol. It has a melting point of about 83°C and is slightly soluble in water. Chemically, it is moderately reactive, particularly with bases and nucleophiles. It is used in organic synthesis and pharmaceutical applications due to its chemical stability and reactivity.

How is (2,6-Difluorophenyl)acetic acid (CAS: 85068-28-6) typically synthesized?

(2,6-Difluorophenyl)acetic acid is often synthesized via the acetylation of 2,6-difluorophenol using acetic anhydride in the presence of a catalyst such as sulfuric acid. The reaction yields the desired compound with good selectivity and moderate to high yield, depending on the purification method.

What industries use (2,6-Difluorophenyl)acetic acid (CAS: 85068-28-6)?

(2,6-Difluorophenyl)acetic acid is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the polymer industry for the modification of polymers, in the sensor industry for developing chemical sensors, and in semiconductor fabrication for specific etching processes.

What precautions should be taken when handling (2,6-Difluorophenyl)acetic acid (CAS: 85068-28-6)?

Handling (2,6-Difluorophenyl)acetic acid requires appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and heat. In case of spill, avoid inhalation or contact with skin, and use appropriate containment and disposal methods as per the Material Safety Data Sheet (MSDS/SDS).