1,3-Bis(trifluoromethyl)benzene

Basic Information

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CAS Number

402-31-3

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

-35°C

Boiling Point

116°C

Water Solubility

Insoluble in water. Soluble in alcohol, ether, benzene.

Refractive Index

n20/D 1.379(lit.)

SMILES

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

InChI

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

InChIKey

SJBBXFLOLUTGCW-UHFFFAOYSA-N

LogP

3.7242000000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

171

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

F7TWF66P6X
Benzene,3-bis(trifluoromethyl)-
1,3-bis-(Trifluoromethyl)benzene
NSC-10342
EINECS 206-939-4
alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-m-xylene
EC 206-939-4
Z104476126
H0585
DTXSID1059949
1,3-bis-(trifluoromethyl)-benzene
m-Xylene,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-
1,3-Bis(trifluoromethyl)benzene
Hexafluoro-m-xylene
.alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-m-xylene
1,3-Bis(trifluoromethyl)-benzene
1,3-bistrifluoromethylbenzene
1,3-di(Trifluoromethyl)benzene
Benzene, 1,3-bis(trifluoromethyl)-
alpha,alpha,alpha,beta,beta,beta-Hexafluoro-m-xylene
402-31-3
FT-0606581
NSC 10342
AI3-52239
AM20060280
NS00006531
1,3-bis(trifluoro-methyl)benzene
m-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-
2,6-bis(trifluoromethyl)benzene
CS-W021277
3,5-bis(trifluoromethyl)benzene

MDL Number

MFCD00000392

Customs Code

2903999090

FAQ

What is 1,3-Bis(trifluoromethyl)benzene (CAS: 402-31-3)?

1,3-Bis(trifluoromethyl)benzene is an aromatic organic compound with the chemical formula C8H6F6. It is a colorless solid with high fluorine content, which contributes to its low reactivity and high thermal stability. This compound is known for its unique physical and chemical properties, making it useful in specialized applications.

What are the main uses of 1,3-Bis(trifluoromethyl)benzene (CAS: 402-31-3)?

1,3-Bis(trifluoromethyl)benzene is primarily used in the synthesis of pharmaceuticals, agrochemicals, and specialty polymers. It serves as an intermediate in the development of drug molecules and is also applied in industrial processes due to its stability and reactivity characteristics. Its use in research is expanding due to its potential in material science and organic synthesis.

Is 1,3-Bis(trifluoromethyl)benzene (CAS: 402-31-3) safe?

1,3-Bis(trifluoromethyl)benzene is considered hazardous due to its potential toxicity. It should be handled with appropriate protective measures, including gloves, goggles, and ventilation. Safety standards recommend avoiding ingestion, inhalation, and skin contact. Proper disposal is essential to ensure environmental safety.

How should 1,3-Bis(trifluoromethyl)benzene (CAS: 402-31-3) be stored?

1,3-Bis(trifluoromethyl)benzene should be stored in a cool, dry, and well-ventilated area, away from light and heat sources. It is best kept in a sealed, non-reactive container to maintain stability. Storage conditions should avoid exposure to moisture and incompatible substances to ensure long-term safety and efficacy.