1-Bromo-3-fluoro-5-(trifluoromethyl)benzene

Basic Information

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CAS Number

130723-13-6

Molecular Formula

C7H3BrF4

Molecular Weight

243 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

No data available

Boiling Point

138-139 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.456(lit.)

SMILES

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C1=C(C=C(C=C1F)Br)C(F)(F)F

InChI

InChI=1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H

InChIKey

LIGBGEJPUQBLTG-UHFFFAOYSA-N

LogP

3.607

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

156

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL43363
J-512015
DS-12431
5-bromo-3-fluorobenzo trifluoride
DTXSID50371277
SY018353
CS-W010270
B3106
1-Bromo-3-fluoro-5-(trifluoromethyl)benzene
FT-0615177
130723-13-6
AKOS005258441
3-Bromo-5-fluorobenzotrifluoride, 97%
1-bromo-3-fluoro-5-(trifluoromethyl)-benzene
3-Bromo-5-fluorobenzotrifluoride
3-fluoro-5-trifluoromethylphenyl bromide
3-Bromo-5-flurobenzotrifluoride
EN300-37507
5-IODO-5-DEOXYTHYMIDINE
AC-4114
3-Bromo-alpha,alpha,alpha,5-tetrafluorotoluene
MFCD00042498
1-bromo-3-fluoro-5-trifluoromethyl benzene
1-bromo-3-fluoro-5-trifluoromethylbenzene
BB 0262932
Benzene, 1-bromo-3-fluoro-5-(trifluoromethyl)-
3-fluoro-5-trifluoromethyl-bromo-benzene
AM20060134
CL8621
3-Fluoro-5-trifluoromethyl-bromobenzene
3-fluoro-5-trifluoromethylbromobenzene

MDL Number

MFCD00042498

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene (CAS: 130723-13-6)?

1-Bromo-3-fluoro-5-(trifluoromethyl)benzene is a crystalline solid with a molecular weight of approximately 287.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetonitrile. The compound is relatively inert under normal conditions but can react with bases and reducing agents. It is used in organic synthesis as a brominating agent and precursor in pharmaceuticals and polymers.

How is 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene (CAS: 130723-13-6) typically synthesized?

1-Bromo-3-fluoro-5-(trifluoromethyl)benzene can be synthesized via bromination of 3-fluoro-5-(trifluoromethyl)benzene using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction involves the formation of a highly substituted benzene ring with a bromine, fluoro, and trifluoromethyl group, providing high selectivity and yield.

What industries use 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene (CAS: 130723-13-6)?

1-Bromo-3-fluoro-5-(trifluoromethyl)benzene is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various fluorinated compounds and is employed in the development of new materials with specific electronic and mechanical properties. Additionally, it is used in the manufacturing of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene (CAS: 130723-13-6)?

When handling 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. The compound should be stored in a cool, dry place away from incompatible substances. In case of a spill, immediately clean up with appropriate absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.