1,2,3-Trifluoro-5-iodobenzene

Basic Information

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CAS Number

170112-66-0

Molecular Formula

C6H2F3I

Molecular Weight

257.98 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=C(C=C(C(=C1F)F)F)I

InChI

InChI=1S/C6H2F3I/c7-4-1-3(10)2-5(8)6(4)9/h1-2H

InChIKey

RLJXJUHMVYLIBW-UHFFFAOYSA-N

LogP

2.7085

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

108

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1,2,3-trifluoro-5-iodo-benzene
1-iodo-3,4,5-trifluorobenzene
DS-15521
Benzene, 1,2,3-trifluoro-5-iodo-
Z1021304792
1,2,3-trifluoro-5-iodobenzene
EN300-222747
3,4,5-Trifluoroiodobenzene
AKOS012109040
A811164
FT-0677348
RLJXJUHMVYLIBW-UHFFFAOYSA-N
CS-W021791
AC-10351
MFCD03265259
SY062938
170112-66-0
SCHEMBL2938544
DTXSID30375314
1-Iodo-3,4,5-Trifluorobenzene
5-Iodo-1,2,3-trifluorobenzene
SBB101936
8717AA
CM12312
AS05746
1,2,3-tris(fluoranyl)-5-iodanyl-benzene

MDL Number

MFCD03265259

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,2,3-Trifluoro-5-iodobenzene (CAS: 170111-66-0)?

1,2,3-Trifluoro-5-iodobenzene is a solid, crystalline compound with a high molecular weight due to the presence of iodine and fluorine. It has a low solubility in water but good solubility in organic solvents such as chloroform and dichloromethane. The compound is not highly reactive under normal conditions but can undergo substitution reactions. Its molecular weight is approximately 311.01 Da. It is often used in organic synthesis and as an intermediate in the production of other fluorinated compounds.

How is 1,2,3-Trifluoro-5-iodobenzene (CAS: 170111-66-0) typically synthesized?

1,2,3-Trifluoro-5-iodobenzene can be synthesized via a multi-step process involving the introduction of fluorine and iodine into a benzene ring. A common approach involves the use of trifluoromethylating reagents like trifluoromethyl iodide and a halogenating agent like N-bromosuccinimide (NBS) to introduce the trifluoro and iodine functionalities, respectively. The reaction conditions and catalysts are crucial for achieving high selectivity and yield.

What industries use 1,2,3-Trifluoro-5-iodobenzene (CAS: 170111-66-0)?

1,2,3-Trifluoro-5-iodobenzene is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and fluorinated polymers. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1,2,3-Trifluoro-5-iodobenzene (CAS: 170111-66-0)?

When handling 1,2,3-Trifluoro-5-iodobenzene, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to protect against skin and eye contact. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Proper spill handling procedures should be followed, and the substance should be stored in a cool, dry place away from heat sources. Always consult the Safety Data Sheet (SDS) for comprehensive safety information.