3-Bromo-5-fluorobenzonitrile

Basic Information

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CAS Number

179898-34-1

Molecular Formula

C7H3BrFN

Molecular Weight

200.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

44.0 to 48.0 deg-C

Boiling Point

218.7°C at 760 mmHg

Density

1.69

Flash Point

86.1 °C

Refractive Index

1.577

SMILES

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C1=C(C=C(C=C1F)Br)C#N

InChI

InChI=1S/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

InChIKey

IADLVSLZPQYXIF-UHFFFAOYSA-N

LogP

2.45988

Complexity

162

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 6.1 Class 6.1

Synonyms & References

English

3-cyano-5-fluoro-bromobenzene
3-fluoro-5-cyano-bromobenzene
FT-0643734
CS-D1719
A3992
J-011476
DTXSID50382585
AC-4032
3-Bromo-5-fluorobenzonitrile, AldrichCPR
3-fluoro-5-bromobenzonitile
PS-8215
SY007971
3-fluoro-5-bromobenzonitrile
3-bromo-5-fluorobenzonitrile
IADLVSLZPQYXIF-UHFFFAOYSA-N
B4600
AKOS005257959
3-bromo-5-fluoro-benzonitrile
AB17049
179898-34-1
CL9095
MFCD04038227
3-Bromo-5-fluorobenzonitrole
Benzonitrile, 3-bromo-5-fluoro-
3-bromo-5-fluorobenzenecarbonitrile
AM61362
EN300-77947
SCHEMBL419288
3-Bromo-5-fluorobenzonitrile
3-bromo 5-fluorobenzonitrile
3-bromo-5-fluorobenzenenitrile

MDL Number

MFCD04038227

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-Bromo-5-fluorobenzonitrile (CAS: 179898-34-1)?

3-Bromo-5-fluorobenzonitrile (CAS: 179898-34-1) is a crystalline solid with a molecular weight of approximately 217.02 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive, particularly towards nucleophiles and electrophiles. It exhibits good reactivity towards reduction and electrophilic aromatic substitution reactions.

How is 3-Bromo-5-fluorobenzonitrile (CAS: 179898-34-1) typically synthesized?

3-Bromo-5-fluorobenzonitrile is typically synthesized via nucleophilic substitution reactions. One common method involves the reaction of 5-fluorobenzenecarbonyl chloride with sodium bromide in the presence of a base like potassium carbonate. This process yields high selectivity and good yield, making it a reliable method for industrial synthesis.

What industries use 3-Bromo-5-fluorobenzonitrile (CAS: 179898-34-1)?

3-Bromo-5-fluorobenzonitrile (CAS: 179898-34-1) finds applications in the pharmaceutical industry for the synthesis of various compounds, in the polymer industry as a monomer, and in the semiconductor industry for sensor development. It is also used in research and development for catalyst screening and organic synthesis.

What precautions should be taken when handling 3-Bromo-5-fluorobenzonitrile (CAS: 179898-34-1)?

When handling 3-Bromo-5-fluorobenzonitrile (CAS: 179898-34-1), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to avoid inhalation. In case of spillage, immediately clean up with appropriate absorbents and follow standard safety protocols. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.