5-Fluoro-2-iodobenzoic acid

Basic Information

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CAS Number

52548-63-7

Molecular Formula

C7H4FIO2

Molecular Weight

266.01 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

146.0 to 150.0 deg-C

Boiling Point

307.9℃ at 760 mmHg

SMILES

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C1=CC(=C(C=C1F)C(=O)O)I

InChI

InChI=1S/C7H4FIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

InChIKey

XPFMQYOPTHMSJJ-UHFFFAOYSA-N

LogP

2.1285

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

163

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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 6.1 Class 6.1

Sensitiveness

Light Sensitive

Synonyms & References

English

MFCD00837316
FT-0647518
EN300-62485
CS-W008430
2-IODO-5-FLUOROBENZOIC ACID
AKOS000189661
XPFMQYOPTHMSJJ-UHFFFAOYSA-N
NCGC00342824-01
5-Fluoro-2-iodobenzoic acid, 97%
Benzoic acid, 5-fluoro-2-iodo-
5-fluoro-2-iodobenzoic acid
Z317078348
52548-63-7
SY030950
DTXSID10523210
AB01334435-02
SCHEMBL1150930
PS-7328
AM20040630
5-Fluoro-2-iodobenzoicacid
3-fluoro-6-iodo benzoic acid
5-fluoro-2-iodo-benzoic acid
J-517508
F1113
5-Fluoro-2-iodobenzoic acid
2-Iodo-5-Fluorobenzoic Acid
C7H4FIO2

MDL Number

MFCD00837316

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 5-Fluoro-2-iodobenzoic acid (CAS: 52548-63-7)?

5-Fluoro-2-iodobenzoic acid is a white to off-white crystalline solid with a molecular weight of approximately 318.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing basic properties due to the carboxylic acid group. It reacts with bases and can undergo esterification, amide formation, and other typical carboxylic acid reactions.

How is 5-Fluoro-2-iodobenzoic acid (CAS: 52548-63-7) typically synthesized?

5-Fluoro-2-iodobenzoic acid is typically synthesized through the iodination of 5-fluorobenzoic acid using N-iodosuccinimide (NIS) as the oxidizing agent in an aqueous or organic solvent. The reaction proceeds via a nucleophilic substitution mechanism. Other methods include the use of iodine in the presence of a base or a phase transfer catalyst. The yield and selectivity of the reaction can be improved by optimizing the reaction conditions.

What industries use 5-Fluoro-2-iodobenzoic acid (CAS: 52548-63-7)?

5-Fluoro-2-iodobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the polymer industry for the production of functional polymers and in the electronics industry for the development of sensors and semiconductors. Additionally, it may find applications in the research and development of new materials and compounds.

What precautions should be taken when handling 5-Fluoro-2-iodobenzoic acid (CAS: 52548-63-7)?

When handling 5-Fluoro-2-iodobenzoic acid (CAS: 52548-63-7), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to minimize exposure to fumes. Spills should be cleaned up carefully, ensuring proper disposal in accordance with local regulations. Always follow the safety data sheet (SDS) for specific handling instructions and emergency procedures.