1-Fluoro-3-(trichloromethyl)benzene

Basic Information

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CAS Number

401-77-4

Molecular Formula

C7H4Cl3F

Molecular Weight

213.47 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

119℃

Flash Point

119-120°C/45mm

Refractive Index

1.537

SMILES

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C1=CC(=CC(=C1)F)C(Cl)(Cl)Cl

InChI

InChI=1S/C7H4Cl3F/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H

InChIKey

JRTYPYSADXRJBQ-UHFFFAOYSA-N

LogP

3.652400000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

132

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

3-Fluoro benzotrichloride
NS00042725
MFCD00042073
W-109533
m-Fluoro-alpha,alpha,alpha-trichlorotoluene
DTXSID50193138
A824959
3-Fluorobenzotrichloride
PS-10665
FT-0615721
401-77-4
AKOS005254978
EINECS 206-931-0
SCHEMBL7062766
1-fluoro-3-(trichloromethyl)benzene
5-fluorobenzotrichloride
1-Fluoro-3-(trichloromethyl)benzene
3-Fluoro-Trichlorotoluene
m-Fluorotrichlorotoluene

MDL Number

MFCD00042073

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4)?

1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4) is a crystalline solid with a molecular weight of approximately 246.48 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound exhibits limited reactivity under normal conditions but can undergo substitution reactions under certain conditions. It is a potent chemical and should be handled with care.

How is 1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4) typically synthesized?

1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4) is typically synthesized through the reaction of 3,5-dichlorobenzoyl chloride with fluorobenzene in the presence of a base such as sodium hydride. The reaction yields a high selectivity towards the desired product with good yield, although careful purification and handling are necessary.

What industries use 1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4)?

1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4) finds application in various industries, including pharmaceuticals for intermediate synthesis, polymers as a monomer, and sensors for analytical purposes. It is also used in semiconductor manufacturing for specific purification processes.

What precautions should be taken when handling 1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4)?

When handling 1-Fluoro-3-(trichloromethyl)benzene (CAS: 401-77-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be carefully cleaned up using appropriate containment measures, and the substance should be stored in a cool, dry place away from strong oxidizers and acids. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.