1-Fluoro-2,3-dimethylbenzene

Basic Information

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CAS Number

443-82-3

Molecular Formula

C8H9F

Molecular Weight

124.15 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

148°C

Water Solubility

Insoluble in water.

Flash Point

36 ºC

Refractive Index

1.4845-1.4865

SMILES

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

InChI

InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

InChIKey

AWLDSXJCQWTJPC-UHFFFAOYSA-N

LogP

2.44250

Complexity

90.6

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

MFCD00000323
FT-0615739
o-Xylene, 3-fluoro-
GS-3499
WLN: FR B1 C1
2,3-Dimethylfluorobenzene
3-Fluoro-o-xylene
NSC76081
3-Fluoro-1,2-dimethylbenzene
3-fluoro-1,2-dimethyl benzene
AC-9715
1,2-dimethyl-3-fluorobenzene
1-fluoro-2,3-dimethyl-benzene
Fluorxylol
1-Fluoro-2,3-dimethylbenzene
TAW2GYD383
SCHEMBL129712
AWLDSXJCQWTJPC-UHFFFAOYSA-
Benzene, 1-fluoro-2,3-dimethyl-
DTXSID60196110
InChI=1/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
443-82-3
F0332
AM61975
BRN 2040955
NSC-76081
4-05-00-00925 (Beilstein Handbook Reference)
EN300-120934
NSC 76081
3-Fluoro-1,2-xylene
EINECS 207-140-3

MDL Number

MFCD00000323

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Fluoro-2,3-dimethylbenzene (CAS: 443-82-3)?

1-Fluoro-2,3-dimethylbenzene is a colorless liquid with a molecular weight of 141.12 g/mol. It has a density of 1.043 g/cm³ at 20°C and a boiling point of 152°C. The compound is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. It is moderately reactive towards nucleophiles and electrophiles. It is used in the synthesis of various organic compounds and as a precursor in organic chemistry. Chemically, it shows aromatic behavior and can undergo typical electrophilic aromatic substitution reactions.

How is 1-Fluoro-2,3-dimethylbenzene (CAS: 443-82-3) typically synthesized?

1-Fluoro-2,3-dimethylbenzene is typically prepared by alkylation of toluene using methyl fluoride and a Lewis acid like aluminum chloride as a catalyst. The reaction involves the generation of a methylated toluene intermediate, followed by alkylation with methyl fluoride. This method yields a high purity product with good selectivity. The reaction is carried out in a solvent like dichloromethane and requires careful control of temperature and reaction time to achieve high yields and product purity.

What industries use 1-Fluoro-2,3-dimethylbenzene (CAS: 443-82-3)?

1-Fluoro-2,3-dimethylbenzene is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of antiviral and anti-inflammatory drugs. It is also used in the production of organic dyes and pigments, as a precursor in the synthesis of polymers, and in the development of new materials for sensors and semiconductors. Its versatility in organic chemistry makes it a valuable compound across multiple sectors.

What precautions should be taken when handling 1-Fluoro-2,3-dimethylbenzene (CAS: 443-82-3)?

When handling 1-Fluoro-2,3-dimethylbenzene, it is important to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and disposal should follow local regulations. Safety data sheets (SDS) should be consulted for detailed guidelines on storage, disposal, and emergency response. Due to its flammable nature, open flames and other sources of ignition should be avoided, and proper storage in a cool, dry place away from incompatible materials is recommended.