5-Bromo-1,3-difluoro-2-iodobenzene

Basic Information

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CAS Number

160976-02-3

Molecular Formula

C6H2BrF2I

Molecular Weight

318.89 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

41.0 to 45.0 deg-C

Boiling Point

236.1°C at 760 mmHg

Density

2.342

Flash Point

96.6°C

Refractive Index

1.604

SMILES

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

InChI

InChI=1S/C6H2BrF2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H

InChIKey

NLWAKVGODLJALJ-UHFFFAOYSA-N

LogP

3.3319

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

110

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

Synonyms & References

English

1-Bromo-3,5-difluoro-4-iodobenzene
4-bromo-2,6-difluoro-1-iodobenzene
SY017079
CS-W012011
SCHEMBL6687144
NLWAKVGODLJALJ-UHFFFAOYSA-N
4-bromo-2,6-difluoroiodobenzene
A810211
MFCD01861126
FT-0746828
Benzene, 5-bromo-1,3-difluoro-2-iodo-
2,6-Difluoro-4-Bromo Iodobenzene
B3058
5-Bromo-1,3-difluoro-2-iodobenzene
EN300-646253
DS-1698
5-bromo-1,3-difluoro-2-iodo-benzene
2,6-difluoro-4-bromoiodobenzene
4-bromo-2,6 difluoro-1-iodobenzene
160976-02-3
DTXSID70382224
AKOS005254968
AM61337
Bromodifluoroiodobenzene
2,6-Difluoro-4-bromoiodobenzene
4-Bromo-2,6-difluoroiodobenzene
4-BROMO-2,6 DIFLUORO-1-IODOBENZENE
KSC498A9H
2.6-difluoro-4-bromo iodobenzene
EBD37325
STL554368

MDL Number

MFCD01861126

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 5-Bromo-1,3-difluoro-2-iodobenzene (CAS: 160976-02-3)?

5-Bromo-1,3-difluoro-2-iodobenzene is an organic compound with a molecular weight of approximately 339.02 g/mol. It is a solid with a crystalline form. Solubility is low in water but better in organic solvents like dichloromethane or acetone. This compound is reactive due to its halogen substituents, particularly the bromine and iodine groups.

How is 5-Bromo-1,3-difluoro-2-iodobenzene (CAS: 160976-02-3) typically synthesized?

5-Bromo-1,3-difluoro-2-iodobenzene is typically synthesized via a multistep process involving bromination, fluorination, and iodination of a precursor benzene ring. Common methods include using reagents like N-bromosuccinimide (NBS) for bromination and iodobenzenes for iodination, with appropriate catalysts to achieve the desired regioselectivity and yield.

What industries use 5-Bromo-1,3-difluoro-2-iodobenzene (CAS: 160976-02-3)?

5-Bromo-1,3-difluoro-2-iodobenzene is used in pharmaceuticals for the synthesis of certain drug intermediates, and in the polymer industry for the development of novel materials. It also finds applications in the semiconductor industry for specific photoresist formulations and in chemical sensors due to its unique spectral properties.

What precautions should be taken when handling 5-Bromo-1,3-difluoro-2-iodobenzene (CAS: 160976-02-3)?

When handling 5-Bromo-1,3-difluoro-2-iodobenzene, proper personal protective equipment (PPE) including gloves, goggles, and a lab coat is essential. Work should be conducted in a fume hood to minimize exposure. In case of spill, clean up with appropriate solvent and dispose of waste according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.