4-Iodo-3-(trifluoromethoxy)benzoic acid

Basic Information

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CAS Number

886762-67-0

Molecular Formula

C8H4F3IO3

Molecular Weight

332.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)I

InChI

InChI=1S/C8H4F3IO3/c9-8(10,11)15-6-3-4(7(13)14)1-2-5(6)12/h1-3H,(H,13,14)

InChIKey

YZYRBLQNCPKVHL-UHFFFAOYSA-N

LogP

2.888

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

244

Safety Information

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Sensitiveness

Light Sensitive/Air Sensitive

Synonyms & References

English

EN300-1608818
DTXSID70382461
MFCD07368785
4-iodo-3-(trifluoromethoxy)benzoic Acid
PS-7019
Z1509567919
4-iodo-3-(trifluoromethoxy)benzoicAcid
CS-0045076
AKOS022171805
YZYRBLQNCPKVHL-UHFFFAOYSA-N
886762-67-0
4-Iodo-3-(trifluoromethoxy)benzoic acid

MDL Number

MFCD07368785

FAQ

What are the physical and chemical properties of 4-Iodo-3-(trifluoromethoxy)benzoic acid (CAS: 886762-67-0)?

4-Iodo-3-(trifluoromethoxy)benzoic acid is a white crystalline solid with a molecular weight of approximately 356.04 g/mol. It has a low solubility in water (0.01 g/100 mL at 25°C) and is more soluble in organic solvents like methanol and dichloromethane. The compound exhibits moderate reactivity, particularly towards nucleophiles and is susceptible to hydrolysis under basic conditions.

How is 4-Iodo-3-(trifluoromethoxy)benzoic acid (CAS: 886762-67-0) typically synthesized?

4-Iodo-3-(trifluoromethoxy)benzoic acid is commonly synthesized via the iodination of 3-(trifluoromethoxy)benzoic acid with iodine in the presence of a base like sodium hydride. The reaction is typically carried out in a solvent such as dimethylformamide (DMF) and involves the formation of an ionic intermediate which then undergoes acid-base protonation to form the final product.

What industries use 4-Iodo-3-(trifluoromethoxy)benzoic acid (CAS: 886762-67-0)?

4-Iodo-3-(trifluoromethoxy)benzoic acid finds application in the pharmaceutical industry, where it may be used as an intermediate in the synthesis of medicinal compounds. It is also relevant in the polymer industry for the development of specialized polymers and in the electronics industry for the production of certain types of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-Iodo-3-(trifluoromethoxy)benzoic acid (CAS: 886762-67-0)?

When handling 4-Iodo-3-(trifluoromethoxy)benzoic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the safety data sheet (SDS) for detailed handling and disposal information.