1-Chloro-3,5-bis(trifluoromethyl)benzene

Basic Information

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CAS Number

328-72-3

Molecular Formula

C8H3ClF6

Molecular Weight

248.55 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

133.78°C (rough estimate)

SMILES

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C1=C(C=C(C=C1C(F)(F)F)Cl)C(F)(F)F

InChI

InChI=1S/C8H3ClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

InChIKey

OXMBWPJFVUPOFO-UHFFFAOYSA-N

LogP

4.3776

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

198

Synonyms & References

English

5-chloro-1,3-bis(trifluoromethyl)-benzene
DS-13506
5-chloro-1,3-bis(trifluormethyl)-benzene
1-chloro-3,5-bis(trifluoromethyl)benzene
AKOS003587356
328-72-3
A821478
5-chloro-1,3-bis-(trifluoromethyl)-benzene
3,5-Bis(trifluoromethyl)chlorobenzene
MFCD01861848
3 pound not5-Bis(trifluoromethyl)chlorobenzene
SCHEMBL3786224
DTXSID50377714
SY101275
CS-W021805
FT-0614445
s12298
Benzene,1-chloro-3,5-bis(trifluoromethyl)-
1-Chlor-3,5-bis-trifluormethyl-benzol
1-chloro-3,5-bis-trifluoromethyl-benzene

MDL Number

MFCD01861848

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3)?

1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3) is a colorless or light yellow solid with a molecular weight of 299.62 g/mol. It has a low solubility in water but is freely soluble in organic solvents like dichloromethane and acetonitrile. The compound is known for its high reactivity towards nucleophiles and electrophiles. It is a potent electrophile due to the presence of the trifluoromethyl groups, which activate the benzene ring for substitution reactions.

How is 1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3) typically synthesized?

1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3) can be synthesized via the Friedel-Crafts alkylation of 1-chlorobenzene (or benzene) with trifluoromethyl chloromethane in the presence of aluminum chloride as a catalyst. The reaction is typically carried out under anhydrous conditions to achieve high yield and selectivity. The product is usually purified by recrystallization or column chromatography.

What industries use 1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3)?

1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various pharmaceutical intermediates and is also utilized in the preparation of fluorinated polymers. Its use in sensors and semiconductors is also reported due to its unique chemical and physical properties.

What precautions should be taken when handling 1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3)?

When handling 1-Chloro-3,5-bis(trifluoromethyl)benzene (CAS: 328-72-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.