1-Bromo-3-fluoro-2-iodobenzene

Basic Information

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CAS Number

450412-29-0

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

109°C/10mmHg

Flash Point

104 ºC

SMILES

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Fc1cccc(Br)c1I

InChI

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

InChIKey

FXEGEEUPPGLIIC-UHFFFAOYSA-N

LogP

3.1928

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

99.1

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-fluoro-2-iodobenzene
2-Bromo-6-fluoro iodobenzene
2-IODO-3-BROMOFLUOROBENZENE
C6H3BrFI
2-Bromo-6-fluoroiodobenzene
Benzene, 1-bromo-3-fluoro-2-iodo-
1-bromo-3-fluoro-2-iodo-benzene
1-Bromo-2-iodo-3-fluorobenzene
FXEGEEUPPGLIIC-UHFFFAOYSA-N
WT241
SY035384
AM803926
AB0042715
TL80090263
ST24037875
Z0602

MDL Number

MFCD07368675

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0)?

1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0) is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may be classified as a hazardous substance based on its physical and chemical properties. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) for safety assessment and notification. The U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) also have specific requirements for the handling, storage, and transportation of this compound.

Are there alternatives to 1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0) in synthesis?

Alternatives to 1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0) include other halo-substituted benzene derivatives such as 1-bromo-2-fluoro-3-iodobenzene and 2-bromo-4-fluoro-5-iodobenzene. These compounds can serve as precursors in similar synthesis pathways. Common alternative reagents in related reactions might include other halogenating agents like sulfuryl chloride or phosphorus oxychloride.

What is the market or research trend for 1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0)?

The market for 1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0) is driven by its use in pharmaceutical and chemical synthesis. Recent research trends indicate increased interest in the development of new synthetic methods and the exploration of its potential in drug discovery. Market trends show a steady demand, supported by its unique halogen substituents, which make it valuable in creating complex molecules with specific properties.

How should waste containing 1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0) be handled?

Waste containing 1-Bromo-3-fluoro-2-iodobenzene (CAS: 450412-29-0) should be managed according to local and international environmental regulations. Proper collection and disposal methods include incineration with energy recovery or safe storage for further processing. Environmental protection precautions should include the use of appropriate personal protective equipment and ensuring no accidental releases. Professional waste disposal services are recommended to ensure compliance and safety.