2-chloro-4,5-difluorobenzoic acid

Basic Information

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CAS Number

110877-64-0

Molecular Formula

C7H3ClF2O2

Molecular Weight

192.55 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

103.0 to 106.0 deg-C

Boiling Point

258 ºC

Water Solubility

5.0 g/L (20 ºC)

Flash Point

257-259°C

SMILES

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C1=C(C(=CC(=C1F)F)Cl)C(=O)O

InChI

InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

InChIKey

CGFMLBSNHNWJAW-UHFFFAOYSA-N

LogP

2.3164

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

188

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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

AM20060085
AC-3925
NCGC00338548-01
CGFMLBSNHNWJAW-UHFFFAOYSA-N
AKOS000120274
J-508711
EN300-20048
2 -chloro-4,5-difluorobenzoic acid
2'-chloro-4',5'-difluorobenzoic acid
110877-64-0
GS-3091
DTXSID60353180
SCHEMBL979056
F0001-0232
2-Chloro-4,5-difluorobenzoic acid, 99%
CS-W015797
Benzoic acid, 2-chloro-4,5-difluoro-
2-chloro-4,5-difluoro-benzoic acid
InChI=1/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12
Z104476586
2-Chloro-4,5-difluorobenzoicacid
FT-0611747
MFCD00077479
NS00003121
SY011318
2-Chloro-4,5-difluorobenzoic acid
AB01141503-03
2-chloro-4,-difluorobenzoic acid
TIMTEC-BB SBB003616
RARECHEM AL BO 1000
2-chloro-4,5-difluorophenyl acid

MDL Number

MFCD00077479

Customs Code

4002191900

FAQ

What are the physical and chemical properties of 2-chloro-4,5-difluorobenzoic acid (CAS: 110877-64-0)?

2-Chloro-4,5-difluorobenzoic acid is a crystalline solid with a molecular weight of approximately 211.03 g/mol. It has low water solubility and is slightly soluble in organic solvents. The compound is highly reactive towards nucleophilic substitution and can undergo electrophilic aromatic substitution reactions. Its physical properties include a melting point of 207-208°C and a density of 1.59 g/cm³.

How is 2-chloro-4,5-difluorobenzoic acid (CAS: 110877-64-0) typically synthesized?

2-Chloro-4,5-difluorobenzoic acid is typically synthesized through the chlorination of 4,5-difluorobenzoic acid using a Lewis acid catalyst such as aluminum chloride. The reaction involves the substitution of a chlorine atom at the 2-position of the benzene ring, providing a high yield and good selectivity.

What industries use 2-chloro-4,5-difluorobenzoic acid (CAS: 110877-64-0)?

2-Chloro-4,5-difluorobenzoic acid is used in various industries, including pharmaceuticals for the synthesis of active pharmaceutical ingredients, in polymer science for modifying the properties of polymers, and in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 2-chloro-4,5-difluorobenzoic acid (CAS: 110877-64-0)?

When handling 2-chloro-4,5-difluorobenzoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to prevent inhalation. Spills should be handled with caution using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill cleanup procedures.