1,4-Bis(trifluoromethyl)benzene

Basic Information

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CAS Number

433-19-2

Molecular Formula

C8H4F6

Molecular Weight

214.11 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-1°C

Boiling Point

117°C

Refractive Index

n20/D 1.379(lit.)

SMILES

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C1=CC(=CC=C1C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H

InChIKey

PDCBZHHORLHNCZ-UHFFFAOYSA-N

LogP

3.7242000000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

161

Safety Information

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GHS Hazard Pictograms

H225

H315

H319

H335

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class 3 Class 3

Sensitiveness

Sensitive to light

Synonyms & References

English

NSC-61992
A,A,A,A',A'-hexafluoro-p-xylene
Benzene,4-bis(trifluoromethyl)-
UNII-A7C3RX7Y2R
DTXSID1059991
1,4-Bis(trifluoromethyl)benzene
MFCD00000402
SCHEMBL63468
EN300-20090
InChI=1/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4
p-xylene hexafluoride
Z104476788
NS00043352
p-trifluoromethylbenzotrifluoride
1,4-Bis-trifluoromethyl-benzene
1,4-bis-(trifluoromethyl)benzene
FD2076
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene
B1408
.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-p-xylene
NSC 61992
W-106235
p-Bis(trifluoromethyl)benzene
Hexafluoro-p-xylene
p-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-
A7C3RX7Y2R
1,4-Bis(trifluoromethyl)-benzene
.alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-p-xylene
PS-11445
p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
NSC61992

MDL Number

MFCD00000402

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2)?

1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2) is a colorless, crystalline compound with a molecular weight of 233.14 g/mol. It has a high melting point of 55.7-56°C and low water solubility. Chemically, it is highly reactive due to its trifluoromethyl substituents, making it prone to nucleophilic substitution reactions. It is also non-flammable but may react explosively with strong oxidizers.

How is 1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2) typically synthesized?

1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2) can be synthesized via the Friedel-Crafts alkylation of benzene using trifluoromethyl halides in the presence of aluminum chloride as a catalyst. The reaction requires high temperatures and is typically carried out under an inert atmosphere to prevent side reactions with atmospheric moisture.

What industries use 1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2)?

1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2) is primarily used in the pharmaceutical and electronic industries. In pharmaceuticals, it serves as a precursor for the synthesis of certain drugs. In electronics, it is used in the production of semiconductor materials and as a component in some sensors due to its unique chemical properties.

What precautions should be taken when handling 1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2)?

When handling 1,4-Bis(trifluoromethyl)benzene (CAS: 433-19-2), it is essential to wear proper personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately with appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.