1,2-Dichloro-4-iodobenzene

Basic Information

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CAS Number

20555-91-3

Molecular Formula

C6H3Cl2I

Molecular Weight

272.9 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

27-29 °C

Boiling Point

116-118 ºC (12 mmHg)

Flash Point

>230 °F

Refractive Index

1.6480

SMILES

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C1=CC(=C(C=C1I)Cl)Cl

InChI

InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H

InChIKey

NADPFZNWCQIJJW-UHFFFAOYSA-N

LogP

3.5980000000000008

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

97.1

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

Sensitiveness

Light Sensitive

Synonyms & References

English

M6AU4ABW4L
3,4-dichloro-iodobenzene
1,2-Dichloro-4-iodobenzene
20555-91-3
AS-19440
CS-W014025
DTXSID9066625
3,4-Dichloroiodobenzene
AKOS009156522
EN300-646050
UNII-M6AU4ABW4L
3,4-dichloro-1-iodobenzene
,2-dichloro-4-iodo-benzen;Benzene,1,2-dichloro-4-iodo-;3,4-Dichloro-1-iodobenzene
HMS545J07
NS00026683
1,2-dichloro-4-iodo-benzene
1,2-dichloro-5-iodobenzene
Z401315340
3,4-Dichloroiodobenzene, 98%
4-iodo-1,2-dichlorobenzene
MFCD00019014
1-iodo-3,4-dichlorobenzene
EINECS 243-874-0
A20568
W-206532
Benzene, 1,2-dichloro-4-iodo-
D1436
SCHEMBL80565
AM61836
AC-9702
FT-0614252

MDL Number

MFCD00019014

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,2-Dichloro-4-iodobenzene (CAS: 20555-91-3)?

1,2-Dichloro-4-iodobenzene is a crystalline solid with a molecular weight of approximately 304.02 g/mol. Its solubility in water is low, with a solubility of about 0.03 g/L at 25°C. It is relatively chemically inert but can undergo substitution reactions with strong nucleophiles. The compound is insoluble in common organic solvents like ethanol and acetone but is soluble in polar solvents such as dimethyl sulfoxide (DMSO).

How is 1,2-Dichloro-4-iodobenzene (CAS: 20555-91-3) typically synthesized?

1,2-Dichloro-4-iodobenzene is typically synthesized by the combination of 1,2-dichlorobenzene and iodine in the presence of a base such as sodium hydroxide. The reaction proceeds through a nucleophilic substitution mechanism, leading to the formation of the desired dihalo-iodo derivative. The yield and selectivity of the reaction can be controlled by adjusting the reaction conditions and the concentration of the base.

What industries use 1,2-Dichloro-4-iodobenzene (CAS: 20555-91-3)?

1,2-Dichloro-4-iodobenzene is primarily used in the synthesis of various chemical intermediates and pharmaceuticals. It can also find applications in the production of dyes, in the development of materials for sensors and semiconductors, and as an intermediate in organic synthesis. Its unique halogen substitution pattern makes it valuable for specific chemical transformations in industry.

What precautions should be taken when handling 1,2-Dichloro-4-iodobenzene (CAS: 20555-91-3)?

Proper handling of 1,2-Dichloro-4-iodobenzene requires the use of personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbent materials and disposed of according to hazardous waste protocols. Always refer to the Safety Data Sheet (SDS) for specific handling and emergency procedures.