1,3-Dibromo-5-fluorobenzene

Basic Information

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CAS Number

1435-51-4

Molecular Formula

C6H3Br2F

Molecular Weight

253.9 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

84°C/4.5mmHg

Refractive Index

n20/D 1.577(lit.)

SMILES

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C1=C(C=C(C=C1Br)Br)F

InChI

InChI=1S/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3H

InChIKey

ASWYHZXKFSLNLN-UHFFFAOYSA-N

LogP

3.3507000000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

87.1

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

Benzene, 1,3-dibromo-5-fluoro-
1,3-Dibromo-5-fluorobenzene
1,3-dibromo-5- fluorobenzene
BCP23205
1,3dibromo-5-fluorobenzene
Q-103440
AKOS005064119
MFCD00061119
PB47707
DTXSID50162445
3,5-Dibromo-1-fluorobenzene
1,3-Dibromo-5-fluorobenzene, 97%
1,3-dibromo-5-fluoro-benzene
EN300-50150
3,5-bromo-1-fluorophenyl
InChI=1/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3
1435-51-4
CS-W012599
AC-6006
3,5-dibromofluorobenzene
FT-0614515
1-fluoro-3,5-dibromobenzene
DS-13056
3,5-dibromo-fluoro-benzene
P19985
SCHEMBL491373
A20538
SY020714
3,5-DIBROMOFLUOROBENZENE
1,3-Dibrom-5-fluor-benzol
l,3-dibromo-5-fluorobenzene

MDL Number

MFCD00061119

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,3-Dibromo-5-fluorobenzene (CAS: 1435-51-4)?

1,3-Dibromo-5-fluorobenzene is a crystalline solid with a molecular weight of approximately 267.04 g/mol. It has a low solubility in water but is more soluble in organic solvents such as dichloromethane and acetone. The compound is reactive towards nucleophiles and undergoes substitution reactions. It has a melting point of around 75-77°C and a boiling point of approximately 273°C. It is not flammable but may release toxic and corrosive fumes upon thermal decomposition.

How is 1,3-Dibromo-5-fluorobenzene (CAS: 1435-51-4) typically synthesized?

1,3-Dibromo-5-fluorobenzene is typically synthesized through the bromination of 5-fluorobenzenesulfonic acid or 5-fluorobenzenesulfonamide using bromine in the presence of a Lewis acid such as aluminum bromide. The reaction proceeds via electrophilic aromatic substitution, providing high selectivity and yield. Common solvents include dichloromethane or carbon tetrachloride.

What industries use 1,3-Dibromo-5-fluorobenzene (CAS: 1435-51-4)?

1,3-Dibromo-5-fluorobenzene is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also employed in the production of organic semiconductors and in the development of polymer materials with specific electronic properties. Additionally, it finds applications in the manufacturing of sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling 1,3-Dibromo-5-fluorobenzene (CAS: 1435-51-4)?

When handling 1,3-Dibromo-5-fluorobenzene, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be reacted in a well-ventilated fume hood to avoid inhalation of toxic and corrosive fumes. In case of a spill, it should be carefully cleaned up using appropriate absorbents, and the area should be rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.