1,3-Difluoro-5-methylbenzene

Basic Information

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CAS Number

117358-51-7

Molecular Formula

C7H6F2

Molecular Weight

128.12 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

117.6℃ at 760 mmHg

Density

1.122

Flash Point

16.4°C

Refractive Index

1.456

SMILES

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

InChI

InChI=1S/C7H6F2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

InChIKey

YISYUYYETHYYMD-UHFFFAOYSA-N

LogP

2.2732200000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

82.9

Safety Information

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Hazard Statement

Hazard Class

Class 3 Class 3

Synonyms & References

English

SY020678
CS-W013474
AC-7438
J-511336
1,3-difluoro-5-methyl-benzene
Benzene, 1,3-difluoro-5-methyl-
EN300-115870
117358-51-7
AM61306
AKOS006228187
FT-0655397
YISYUYYETHYYMD-UHFFFAOYSA-N
MFCD00797323
1,3-difluoro-5-methylbenzene
PS-11938
3,5-DIFLUORO TOLUENE
DTXSID30380867
SCHEMBL91512
3,5-Difluorotoluene
1,3-Difluoro-5-methylbenzene
3,5-Difluoro Toluene
3,5-Difluorotolune
3-Chloro-4-fluorobenzonitrile
3,5-DIFLUOROTOLUENE
PubChem1616
KSC492S7H
SBB085712
STL557966
BBL104152
VZ25783
LF10260

MDL Number

MFCD00797323

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,3-Difluoro-5-methylbenzene (CAS: 117358-51-7)?

1,3-Difluoro-5-methylbenzene is a colorless liquid with a molecular weight of approximately 133.12 g/mol. It has a boiling point of 172.5°C and a melting point of -31°C. The compound is slightly soluble in water but soluble in organic solvents. It is chemically stable but can undergo electrophilic aromatic substitution reactions under certain conditions.

How is 1,3-Difluoro-5-methylbenzene (CAS: 117358-51-7) typically synthesized?

1,3-Difluoro-5-methylbenzene can be synthesized through the reaction of 5-methylbenzaldehyde with hydrogen fluoride to form 5-fluoro-1-methylbenzene, followed by the reaction with hydrogen fluoride to introduce the second fluorine atom. Alternatively, it can be obtained by the reaction of methylbenzene with hydrogen fluoride in the presence of a Lewis acid catalyst.

What industries use 1,3-Difluoro-5-methylbenzene (CAS: 117358-51-7)?

1,3-Difluoro-5-methylbenzene is used in the pharmaceutical industry for the synthesis of various drug intermediates, in polymer production as a monomer, in the manufacturing of sensors, and as a precursor in semiconductor industry processes.

What precautions should be taken when handling 1,3-Difluoro-5-methylbenzene (CAS: 117358-51-7)?

When handling 1,3-Difluoro-5-methylbenzene, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.