1-(Bromomethyl)-4-iodobenzene

Basic Information

View in Editor

CAS Number

16004-15-2

Molecular Formula

C7H6BrI

Molecular Weight

296.93 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

78.0 to 82.0 deg-C

Boiling Point

140°C 15mm

Water Solubility

Insoluble in water.

Flash Point

140°C/15mm

Refractive Index

1.6500 (estimate)

SMILES

View in Editor

C1=CC(=CC=C1CBr)I

InChI

InChI=1S/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChIKey

BQTRMYJYYNQQGK-UHFFFAOYSA-N

LogP

3.1861000000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Light Sensitive/Lachrymatory

Synonyms & References

English

4-Iodobenzyl bromide, 95%
UNII-5452CN8QMZ
J-009669
1-Bromomethyl-4-iodo-benzene
4-Iodo benzyl bromide
FT-0618788
alpha-Bromo-4-iodotoluene
NS00003360
MFCD00209656
16004-15-2
4-iodo-benzyl bromide
A24586
4-Iodobenzyl bromide
I0571
BQTRMYJYYNQQGK-UHFFFAOYSA-N
4-iodo-benzylbromide
p-odobenzyl bromide;a-bromo-4-iodotoluene
p-iodobenzyl bromide
EN300-92110
GS-3214
EC 700-046-8
DTXSID40359261
SCHEMBL127491
1-(bromomethyl)-4-iodobenzene
4-monoiodobenzyl bromide
InChI=1/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H
AC-20680
1-bromomethyl-4-iodobenzene
4-iodobenzylbromide
CS-W007775
5452CN8QMZ

MDL Number

MFCD00209656

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2)?

1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2) is a crystalline solid with a molecular weight of approximately 316.05 g/mol. It has low water solubility and is moderately soluble in common organic solvents like ethanol and acetone. This compound exhibits significant reactivity, especially towards nucleophilic substitution reactions. It is highly halogenated, which affects its chemical behavior and reactivity patterns.

How is 1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2) typically synthesized?

1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2) can be synthesized through the reaction of 4-iodobenzaldehyde with hydrogen bromide in the presence of a suitable solvent. Typically, this involves the condensation of 4-iodobenzaldehyde with hydrogen bromide under reflux conditions, followed by work-up procedures to isolate the desired product. The yield and purity can be enhanced by careful control of reaction conditions and purification techniques.

What industries use 1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2)?

1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for the development of halogenated polymers and in the semiconductor industry due to its halogen content, which is beneficial for certain fabrication processes. Additionally, it is used in analytical and sensor technologies for specific chemical or biological detection purposes.

What precautions should be taken when handling 1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2)?

When handling 1-(Bromomethyl)-4-iodobenzene (CAS: 16004-15-2), appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be used. This compound should be handled in a well-ventilated fume hood to minimize exposure. Spills should be immediately neutralized with appropriate reagents and cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions. Due to its halogen content, care should be taken to avoid contact with reducing agents to prevent hazardous reactions.