1-(bromomethyl)-2-iodobenzene

Basic Information

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CAS Number

40400-13-3

Molecular Formula

C7H6BrI

Molecular Weight

296.93 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

52.0 to 58.0 deg-C

Boiling Point

125°C/4mmHg

Density

2.106

Refractive Index

1.656

SMILES

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C1=CC=C(C(=C1)CBr)I

InChI

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

InChIKey

GQFITODJWOIYPF-UHFFFAOYSA-N

LogP

3.1861000000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

Safety Information

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GHS Hazard Pictograms

H302

H314

H334

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 8 Class 8

Sensitiveness

Light Sensitive

Synonyms & References

English

NS00116575
GQFITODJWOIYPF-UHFFFAOYSA-
1-Bromomethyl-2-iodobenzene
AKOS015836008
EN300-215102
CK2021
MFCD00236046
InChI=1/C7H6BrI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
DTXSID90465568
SCHEMBL560812
o-iodobenzyl bromide
40400-13-3
GS-5918
alpha-Bromo-2-iodotoluene
2-Iodobenzyl bromide, 97%
1-(bromomethyl)-2-iodobenzene
a-Bromo-2-iodotoluene;Benzene,1-(bromomethyl)-2-iodo-
AM20040420
2-Iodobenzyl bromide
FT-0612673
2-iodobenzylbromide
CS-W007400
I0635
Benzene, 1-(bromomethyl)-2-iodo-
ortho-Iodo-benzylbromide
GQFITODJWOIYPF-UHFFFAOYSA-N
alpha-bromo-2-iodo toluene
A923770
AC-26200
1-(Bromomethyl)-2-iodobenzene
o-iodobenzylbromide

MDL Number

MFCD00236046

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-(bromomethyl)-2-iodobenzene (CAS: 40400-13-3)?

1-(bromomethyl)-2-iodobenzene is a solid at room temperature. Its molecular weight is approximately 326.01 g/mol. This compound is poorly soluble in water but soluble in organic solvents like chloroform and acetone. It is reactive towards nucleophiles and can undergo substitution reactions.

How is 1-(bromomethyl)-2-iodobenzene (CAS: 40400-13-3) typically synthesized?

1-(bromomethyl)-2-iodobenzene can be synthesized by reacting 2-iodobenzyl bromide with benzene. The reaction typically involves refluxing under anhydrous conditions. The yield is moderate, and the reaction is selective for the desired product.

What industries use 1-(bromomethyl)-2-iodobenzene (CAS: 40400-13-3)?

1-(bromomethyl)-2-iodobenzene finds applications in pharmaceuticals and organic synthesis. It is used as an intermediate in the synthesis of certain drug molecules and in academic research for studying organic reactions.

What precautions should be taken when handling 1-(bromomethyl)-2-iodobenzene (CAS: 40400-13-3)?

When handling 1-(bromomethyl)-2-iodobenzene, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up according to standard laboratory procedures, and the material safety data sheet (MSDS) should be consulted for specific handling instructions.