1-Bromo-3-fluoro-5-iodobenzene

Basic Information

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CAS Number

845866-85-5

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

242°C at 760 mmHg

Density

2.281

Flash Point

100.1°C

Refractive Index

1.628

SMILES

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

InChI

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

InChIKey

OQUKJSVQMVBUBY-UHFFFAOYSA-N

LogP

3.192800000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

99.1

Synonyms & References

English

3-Fluoro-5-iodobromobenzene
1-bromo-3-fluoro-5-iodoBenzene
3-bromo-5-fluoroiodobenzene
3-fluoro-5-iodo bromobenzene
PubChem4293
KSC495C0T
CL8622
Benzene, 1-bromo-3-fluoro-5-iodo-
AS01515
AM62117
SY041668
BC002749
AB0026967
3-FLUORINE-5-BROMINE IODINE BENZENE
ST2417712
W8733
1-bromo-3-fluoro-5-iodobenzene
DS-0914
CS-W021920
DB-008050
1-bromo-3-fluoro-5-iodo-benzene
AC-9673
EN300-3533169
3-fluoro-5-iodobromobenzene
MFCD06657969
SCHEMBL854946
845866-85-5
AKOS005063881
DTXSID30375612
A20766

MDL Number

MFCD06657969

FAQ

What are the physical and chemical properties of 1-Bromo-3-fluoro-5-iodobenzene (CAS: 845866-85-5)?

1-Bromo-3-fluoro-5-iodobenzene (CAS: 845866-85-5) is a crystalline solid with a molecular weight of approximately 350.43 g/mol. It is sparingly soluble in water but more soluble in organic solvents like dichloromethane and acetone. The compound exhibits moderate reactivity due to the presence of a fluorine and an iodine substituent, making it susceptible to nucleophilic and electrophilic substitution reactions.

How is 1-Bromo-3-fluoro-5-iodobenzene (CAS: 845866-85-5) typically synthesized?

1-Bromo-3-fluoro-5-iodobenzene can be synthesized via the sequential bromination and iodination of 3-fluorobenzoic acid. The process involves the use of N-bromosuccinimide (NBS) for bromination and N-iodosuccinimide (NIS) for iodination, both catalyzed by light. The yield is typically around 70-80%, and the reaction is carried out in an inert atmosphere to prevent side reactions.

What industries use 1-Bromo-3-fluoro-5-iodobenzene (CAS: 845866-85-5)?

1-Bromo-3-fluoro-5-iodobenzene (CAS: 845866-85-5) is primarily used in pharmaceutical and fine chemical industries for the synthesis of various intermediates and compounds. It also finds applications in the polymer industry for functionalizing polymers and in the development of new materials with specific properties.

What precautions should be taken when handling 1-Bromo-3-fluoro-5-iodobenzene (CAS: 845866-85-5)?

When handling 1-Bromo-3-fluoro-5-iodobenzene (CAS: 845866-85-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed guidelines on handling and disposal.