4-bromo-1-fluoro-2-iodobenzene

Basic Information

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CAS Number

116272-41-4

Molecular Formula

C6H3BrFI

Molecular Weight

300.9 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

247.4℃ at 760 mmHg

SMILES

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C1=CC(=C(C=C1Br)I)F

InChI

InChI=1S/C6H3BrFI/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChIKey

JNETZJWWXCLUKM-UHFFFAOYSA-N

LogP

3.192800000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

99.1

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

A1485
MFCD07368751
JNETZJWWXCLUKM-UHFFFAOYSA-N
AM61264
3-iodo-4-fluorobromobenzene
AKOS005063923
DTXSID90382266
4-fluoro-3-iodobromobenzene
Dibenzo-b,f1,4thiazepin-11(10H)-one
CS-0030548
116272-41-4
SCHEMBL933399
AC-9672
4-bromo-1-fluoro-2-iodobenzene
2-fluoro-5-bromoiodobenzene
1-bromo-4-fluoro-3-iodobenzene
FT-0642829
EN300-154550
5-bromo-2-fluoro-iodobenzene
4-bromo-1-fluoro-2-iodo-benzene
5-bromo-2-fluoroiodobenzene
SY024316
Benzene, 4-bromo-1-fluoro-2-iodo-
GS-3539
4-Fluoro-3-iodobromobenzene
5-Bromo-2-fluoroiodobenzene
5-Bromo-2-fluoro-1-iodobenzene
1-Bromo-3-iodo-4-fluorobenzene
1-Bromo-4-fluoro-3-iodobenzene
3-Iodo-4-fluorobromobenzene
Decabromodiphenyl ether

MDL Number

MFCD07368751

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 4-bromo-1-fluoro-2-iodobenzene (CAS: 116272-41-4)?

4-Bromo-1-fluoro-2-iodobenzene is a crystalline solid with a molecular weight of approximately 347.43 g/mol. It has moderate solubility in common organic solvents like chloroform and acetone. The compound is relatively stable under normal conditions but can react with reducing agents. It is used in organic synthesis as a precursor for various functionalized derivatives.

How is 4-bromo-1-fluoro-2-iodobenzene (CAS: 116272-41-4) typically synthesized?

4-Bromo-1-fluoro-2-iodobenzene is typically synthesized through a multi-step process involving bromination and iodination of a fluoro-benzene precursor. Commonly, this is achieved using reagents like N-bromosuccinimide (NBS) and N-iodosuccinimide (NIS) under appropriate conditions. The reaction is sensitive to temperature and requires careful control to achieve high selectivity and yield.

What industries use 4-bromo-1-fluoro-2-iodobenzene (CAS: 116272-41-4)?

4-Bromo-1-fluoro-2-iodobenzene is used in the pharmaceutical and polymer industries. In pharmaceuticals, it serves as an intermediate for synthesizing complex drug molecules. In the polymer industry, it can be used in the development of advanced materials with specific chemical properties. It also finds applications in the production of sensors and semiconductors due to its unique electronic and structural characteristics.

What precautions should be taken when handling 4-bromo-1-fluoro-2-iodobenzene (CAS: 116272-41-4)?

When handling 4-bromo-1-fluoro-2-iodobenzene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or fume hood to minimize exposure to fumes. Spills should be cleaned up using appropriate absorbents and proper disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.