3-Chloro-2-fluorobenzoic acid

Basic Information

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CAS Number

161957-55-7

Molecular Formula

C7H4ClFO2

Molecular Weight

174.56 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

174.0 to 180.0 deg-C

Boiling Point

298.2°C at 760 mmHg

Density

1.789

Flash Point

122.5℃

SMILES

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

InChI

InChI=1S/C7H4ClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

InChIKey

FCSSYEWURMTUSM-UHFFFAOYSA-N

LogP

2.1773

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

163

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Chloro-2-fluorobenzoicacid
3-Chloro-2-fluoro-benzoic acid
AB01929
3-Chloro-2-fluoro Benzoic acid
NSC190683
Benzoic acid, 3-chloro-2-fluoro-
F8880-1898
3-Chloro-2-fluorobenzoic acid, 98%
NSC-190683
3-Chloro-2-fluorobenzoic acid
SY014701
161957-55-7
AKOS005255074
PS-8620
C2117
FT-0615338
J-512186
A19976
CS-W017482
Z1203161795
MFCD00042506
2-Fluoro-3-chlorobenzoic acid
SCHEMBL401838
AC-1904
AM20030089
EN300-109406
BUTTPARK 14\01-29
RARECHEM AL BO 1303
3-Chloro-2-Fluorobenzoic Acid 2-Fluoro-3-Chlorobenzoic Acid
3-Chloro-2-Fluorobenzoic
NSC 190683

MDL Number

MFCD00042506

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Chloro-2-fluorobenzoic acid (CAS: 161957-55-7)?

3-Chloro-2-fluorobenzoic acid is a crystalline solid with a molecular weight of approximately 191.58 g/mol. It has a pKa of about 3.1 and is sparingly soluble in water. This compound is reactive, particularly in its carboxylic acid functionality, and it can undergo esterification and acid-base reactions.

How is 3-Chloro-2-fluorobenzoic acid (CAS: 161957-55-7) typically synthesized?

3-Chloro-2-fluorobenzoic acid can be synthesized via the reaction of 2-fluorobenzoic acid with thionyl chloride. The reaction is carried out under mild conditions, with a yield of approximately 90%. This method involves the substitution of a hydrogen atom on the carboxylic acid group with a chlorine atom.

What industries use 3-Chloro-2-fluorobenzoic acid (CAS: 161957-55-7)?

3-Chloro-2-fluorobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of dyes, sensors, and in materials science for the development of polymers and semiconductors.

What precautions should be taken when handling 3-Chloro-2-fluorobenzoic acid (CAS: 161957-55-7)?

When handling 3-Chloro-2-fluorobenzoic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from heat sources. Spills should be handled with care, and it is recommended to use a fume hood to minimize exposure. Always refer to the Safety Data Sheet (SDS) for detailed safety information.