1-Fluoro-3-(trifluoromethyl)benzene

Basic Information

View in Editor

CAS Number

401-80-9

Molecular Formula

C7H4F4

Molecular Weight

164.1 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

-81.5°C

Boiling Point

101°C

Refractive Index

n20/D 1.4(lit.)

SMILES

View in Editor

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

InChI

InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H

InChIKey

GBOWGKOVMBDPJF-UHFFFAOYSA-N

LogP

2.8445

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

129

Safety Information

View Safety Information

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

Synonyms & References

English

Toluene,.alpha.,.alpha.-m-tetrafluoro-
3-fluorobenzo trifluoride
FT-0615722
1-(Trifluoromethyl)-3-fluorobenzene
m-Fluor-benzotrifluorid
3-Fluoro(trifluoromethyl)benzene
EINECS 206-933-1
FT-0659802
3-trifluoromethyl fluorobenzene
.alpha.,.alpha.,.alpha.,3-Tetrafluorotoluene
Toluene, m,.alpha.,.alpha.,.alpha.-tetrafluoro-
SCHEMBL168760
MFCD00000382
3-fluoro-trifluoromethylbenzene
AMY008
1-Fluoro-3-(trifluoro-methyl)benzene
DTXSID20193140
AC-11403
alpha,alpha,alpha,3-Tetrafluorotoluene
m,.alpha.,.alpha.-Tetrafluorotoluene
m-Fluorobenzotrifluoride
F0390
401-80-9
A824961
NSC10315
NSC-10315
3-Fluorobenzotrifluoride, 99%
Toluene, .alpha.,.alpha.,.alpha.-m-tetrafluoro-
W-106383
CS-W017914
Benzene, 1-fluoro-3-(trifluoromethyl)-

MDL Number

MFCD00000382

Customs Code

2903999090

FAQ

What is 1-Fluoro-3-(trifluoromethyl)benzene (CAS: 401-80-9)?

1-Fluoro-3-(trifluoromethyl)benzene is an organic compound with the chemical formula C7H5F3. It is a substituted benzene ring containing one fluorine atom and a trifluoromethyl group. This compound is known for its low reactivity and high stability, making it useful in various chemical applications. It is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds.

What are the main uses of 1-Fluoro-3-(trifluoromethyl)benzene (CAS: 401-80-9)?

1-Fluoro-3-(trifluoromethyl)benzene is primarily used in pharmaceutical research as a building block for drug development. It also serves as an industrial chemical in the production of agrochemicals, dyes, and polymers. Due to its unique fluorinated structure, it is valuable in creating compounds with enhanced chemical properties, such as improved thermal stability and resistance to hydrolysis.

Is 1-Fluoro-3-(trifluoromethyl)benzene (CAS: 401-80-9) safe?

1-Fluoro-3-(trifluoromethyl)benzene is generally considered safe when handled properly, but it may pose health risks if inhaled or ingested. Protective measures such as gloves, goggles, and a well-ventilated workspace are recommended. It is important to follow safety standards and regulations for handling fluorinated compounds to minimize exposure and ensure safe chemical practices.

How should 1-Fluoro-3-(trifluoromethyl)benzene (CAS: 401-80-9) be stored?

1-Fluoro-3-(trifluoromethyl)benzene should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed, airtight container made of materials compatible with fluorinated compounds, such as glass or high-density polyethylene. Proper storage helps maintain its stability and prevents unwanted chemical reactions.