1-Chloro-3-iodo-5-(trifluoromethyl)benzene

Basic Information

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CAS Number

1189352-83-7

Molecular Formula

C7H3ClF3I

Molecular Weight

306.45 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Light-red to Brown Liquid

Boiling Point

217.9℃ at 760 mmHg

SMILES

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C1=C(C=C(C=C1Cl)I)C(F)(F)F

InChI

InChI=1S/C7H3ClF3I/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H

InChIKey

LJWHHSGVKPUZEL-UHFFFAOYSA-N

LogP

3.963400000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

159

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

1-Chloro-3-iodo-5-(trifluoromethyl)benzene
3-Chloro-5-iodobenzotrifluoride
3-Chloro-5-(Trifluoromethyl) Benzene Iodine
1-CHLORO-3-IODO-5-TRIFLUOROMETHYL-BENZENE
KSC918O7P
LJWHHSGVKPUZEL-UHFFFAOYSA-N
CX1163
STL555381
BBL101585
3192AA
EBD2222296
SY024451
AB0087714
ST24037936
1-chloro-3-iodo-5-(trifluoromethyl)benzene
EN300-1719188
CS-W003909
1189352-83-7
SCHEMBL979567
DA-16730
MFCD19707625
NS00134167
DTXSID50572040
AKOS007930059
AS-46649

MDL Number

MFCD19707625

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7)?

1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7) is a crystalline solid with a molecular weight of approximately 355.03 g/mol. It has low water solubility and high solubility in organic solvents like dichloromethane and acetonitrile. This compound is moderately reactive, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but requires storage in a dry and cool environment to prevent degradation.

How is 1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7) typically synthesized?

1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7) can be synthesized via a Friedel-Crafts alkylation followed by a nucleophilic substitution reaction. Commonly, chlorobenzene is reacted with iodine in the presence of aluminum chloride to form 1-chloro-3-iodobenzene, which is then treated with trifluoromethyl iodide to produce the target compound. This synthesis typically yields a good to moderate percentage of the desired product, with careful control of reaction conditions ensuring high selectivity.

What industries use 1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7)?

1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7) is utilized in the pharmaceutical and polymer industries. Its unique chemical structure makes it a valuable intermediate for synthesizing complex organic compounds, particularly in the development of new medications and materials with advanced properties. It is also used in the production of sensors and semiconductors due to its high stability and selectivity.

What precautions should be taken when handling 1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7)?

When handling 1-Chloro-3-iodo-5-(trifluoromethyl)benzene (CAS: 1189352-83-7), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be promptly cleaned up with appropriate absorbents, and the area should be flushed with water. Always refer to the safety data sheet (SDS) for specific precautionary measures and emergency response guidelines.