3-Bromo-4-fluorotoluene

Basic Information

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CAS Number

452-62-0

Molecular Formula

C7H6BrF

Molecular Weight

189.03 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

186°C

Refractive Index

n20/D 1.531(lit.)

SMILES

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

InChI

InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

InChIKey

QLRKALMVPCQTMU-UHFFFAOYSA-N

LogP

2.8966200000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

94.9

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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 IRRITANT Class IRRITANT

Synonyms & References

English

B1945
3-Bromo-4-fluorotoluene, 99%
NSC-88313
QLRKALMVPCQTMU-UHFFFAOYSA-N
NS00043977
NSC 88313
EINECS 207-201-4
CS-W015976
5-METHYL-2-FLUOROBROMOBENZENE
EN300-28934
BP-12625
2-fluoro-5-methylbromobenzene
AS-11621
NCIOpen2_001565
3-bromo-4-fluoro-toluene
NSC88313
TOLUENE, 3-BROMO-4-FLUORO-
AM61548
3-Bromo-4-fluotoluene
2-FLUORO-5-METHYL-1-BROMOBENZENE
Z278206772
3-bromo-4-fluoro toluene
Benzene, 2-bromo-1-fluoro-4-methyl-
4-fluoro-3-bromotoluene
MFCD00040827
SNF4C42NWZ
SY016043
AC-9816
AKOS005145620
A7128
FT-0615160

MDL Number

MFCD00040827

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 3-Bromo-4-fluorotoluene (CAS: 452-62-0)?

3-Bromo-4-fluorotoluene (CAS: 452-62-0) is a colorless to pale yellow liquid with a molecular weight of 186.02 g/mol. It has a melting point of -37.5°C and a boiling point of 160.5°C. The compound is slightly soluble in water but miscible with organic solvents. It is moderately reactive towards nucleophiles and electrophiles, making it useful in various chemical reactions.

How is 3-Bromo-4-fluorotoluene (CAS: 452-62-0) typically synthesized?

3-Bromo-4-fluorotoluene (CAS: 452-62-0) is commonly synthesized through a bromination reaction of 4-fluorotoluene using bromine in the presence of a Lewis acid catalyst. The reaction is typically carried out in an inert solvent like dichloromethane. The yield is usually high, and the reaction is selective, ensuring the desired brominated product is obtained.

What industries use 3-Bromo-4-fluorotoluene (CAS: 452-62-0)?

3-Bromo-4-fluorotoluene (CAS: 452-62-0) is used in the pharmaceutical industry for the synthesis of certain drugs, as well as in the production of polymers and sensors. It also finds applications in the synthesis of organic semiconductors and in the development of new materials for electronic devices.

What precautions should be taken when handling 3-Bromo-4-fluorotoluene (CAS: 452-62-0)?

When handling 3-Bromo-4-fluorotoluene (CAS: 452-62-0), it is essential to use proper personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, well-ventilated area and used in a fume hood. In case of a spill, gloves and safety glasses should be worn, and the spill should be carefully cleaned up according to the safety data sheet (SDS).