1-Bromo-3-iodobenzene

Basic Information

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CAS Number

591-18-4

Molecular Formula

C6H4BrI

Molecular Weight

282.91 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

−9.3-−9 °C

Boiling Point

120°C/18mmHg

Refractive Index

n20/D 1.66(lit.)

SMILES

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C1=CC(=CC(=C1)I)Br

InChI

InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H

InChIKey

CTPUUDQIXKUAMO-UHFFFAOYSA-N

LogP

3.053700000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

74.9

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Sensitiveness

Light Sensitive

Synonyms & References

English

3-iodobromobenzene
GS-3094
m-Bromoiodobenzene
SCHEMBL79244
591-18-4
AKOS005254502
SY005126
MQH7NC2UMH
NS00034089
HY-32149
3-iodo-bromobenzene
UNII-MQH7NC2UMH
MFCD00001043
1-bromo-3-iodo-benzene
m-Bromjodbenzol
Benzene, 1-bromo-3-iodo-
3-Bromoiodobenzene
FT-0615226
1-BROMO-3-IODOBENZENE
3-Bromoiodobenzene, 98%
AM20040796
B1236
BB 0259552
EINECS 209-703-9
EN300-114507
J-504425
DTXSID9060447
1-bromo-5-iodo-benzene
PB47618
A832168
Z381540820

MDL Number

MFCD00001043

FAQ

What is 1-Bromo-3-iodobenzene (CAS: 591-18-4)?

1-Bromo-3-iodobenzene (CAS: 591-18-4) is an aromatic compound containing both bromine and iodine atoms attached to a benzene ring. Its chemical formula is C6H3BrI. It is a solid at room temperature, has a distinct odor, and is known for its reactivity due to the presence of two halogen substituents. This compound is commonly used as an intermediate in organic synthesis and is valued for its versatility in chemical reactions.

What are the main uses of 1-Bromo-3-iodobenzene (CAS: 591-18-4)?

1-Bromo-3-iodobenzene (CAS: 591-18-4) is primarily used in the pharmaceutical industry for the synthesis of various drugs and medicinal compounds. It also finds applications in organic research, particularly in the development of new materials and functional compounds. In industrial settings, it serves as a precursor for iodinated and brominated aromatic derivatives, which are used in dyes, pesticides, and other specialty chemicals.

Is 1-Bromo-3-iodobenzene (CAS: 591-18-4) safe?

1-Bromo-3-iodobenzene (CAS: 591-18-4) should be handled with care as it may pose health risks. It is considered toxic and can irritate the skin, eyes, and respiratory system. Safety standards recommend using appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It is also important to work in a well-ventilated area and avoid direct contact with the substance to ensure safe handling.

How should 1-Bromo-3-iodobenzene (CAS: 591-18-4) be stored?

1-Bromo-3-iodobenzene (CAS: 591-18-4) should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed container made of materials resistant to halogen compounds, such as glass or high-density polyethylene. Storage conditions should maintain a temperature below 25°C and avoid exposure to moisture to ensure stability and prevent degradation.