1-Methyl-3-(trifluoromethyl)benzene

Basic Information

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CAS Number

401-79-6

Molecular Formula

C8H7F3

Molecular Weight

160.14 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

130 °C

Refractive Index

n20/D 1.427(lit.)

SMILES

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CC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3

InChIKey

VJYXZJGDFJJDGF-UHFFFAOYSA-N

LogP

3.0138200000000017

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

128

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

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

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

Hazard Class

Class 3 Class 3

Synonyms & References

English

AKOS006222503
SCHEMBL148048
AM61956
A6718
FT-0616132
1-methyl-3-(trifluoromethyl)benzene
DTXSID10193139
3-Trifluoromethyltoluene
m-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-
MFCD00190105
Benzene, 1-methyl-3-(trifluoromethyl)-
M2944
3-Methylbenzotrifluoride
CS-W010879
3-(Trifluoromethyl)toluene
PS-11764
a,a,a-Trifluoro-m-xylene
1-methyl-3-(trifluoromethyl)-benzene
401-79-6
AC-4150
3-Methylbenzotrifluoride, 98%
3-methyl benzotrifluoride
1-Methyl-3-(trifluoromethyl)benzene
3-(Trifluoromethyl)toluene~alpha,alpha,alpha-Trifluoro-m-xylene
C8H7F3
1-Methyl-3-trifluoromethyl-benzene
M-METHYLBENZOTRIFLUORIDE
alpha,alpha,alpha-Trifluoro-m-xylene
3-methyl-1-(trifluoromethyl)benzene
PubChem1658
KSC911M2N

MDL Number

MFCD00190105

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6)?

1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6) is a colorless to light yellow liquid with a molecular weight of approximately 186.09 g/mol. It has a low boiling point of 151-152°C and a high melting point of 6-7°C. This compound is poorly soluble in water but soluble in organic solvents. It is moderately reactive and can undergo electrophilic aromatic substitution reactions. It is used in pharmaceuticals and as a precursor in the synthesis of other organic compounds.

How is 1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6) typically synthesized?

1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6) is typically synthesized through Friedel-Crafts alkylation of benzene with trifluoroacetamide and aluminum chloride as a catalyst. The reaction provides high selectivity and yield, making it a common method for preparing this compound. Other methods include Friedel-Crafts alkylations with other trifluoromethylating agents like trifluoromethylsulfonyl chloride.

What industries use 1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6)?

1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6) is primarily used in the pharmaceutical and polymer industries. It serves as a building block for synthesizing complex organic molecules and polymers. Additionally, it is used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6)?

When handling 1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.