2-Bromo-4,5-difluorobenzonitrile

Basic Information

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CAS Number

64695-82-5

Molecular Formula

C7H2BrF2N

Molecular Weight

218 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

63-64℃

Density

1.774

SMILES

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

InChI

InChI=1S/C7H2BrF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H

InChIKey

YHOIAMUAYXTORN-UHFFFAOYSA-N

LogP

2.59898

Complexity

188

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

EN300-210950
AKOS005215800
DTXSID00598215
AS-813/43501754
2-Bromo-4,5-difluorobenzonitrile, AldrichCPR
Z1269242016
FT-0658946
2-bromo-4,5-difluoro-benzonitrile
YHOIAMUAYXTORN-UHFFFAOYSA-N
DS-12815
2-Bromo-4,5-difluorobenzonitrile
SCHEMBL2713149
CS-W003671
SY018585
J-508259
A1758
AM20060002
MFCD09864661
CHEMBL4929581
Benzonitrile, 2-bromo-4,5-difluoro-
64695-82-5
Benzonitrile,2-bromo-4,5-difluoro-
2-Brom-4,5-difluorbenzonitril
2-bromo-4,5-difluorobenzenecarbonitrile
PubChem18456
KSC495A4F
2-Bromo-4,5-Difluoro benzonitrile
SBB063656
PC1369
DT1930
RP27081

MDL Number

MFCD09864661

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Bromo-4,5-difluorobenzonitrile (CAS: 64695-82-5)?

2-Bromo-4,5-difluorobenzonitrile (CAS: 64695-82-5) is a crystalline solid with a molecular weight of approximately 218.02 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. The compound is moderately reactive, particularly towards nucleophiles and reducing agents. It is used in synthesis due to its stability and reactivity in organic transformations.

How is 2-Bromo-4,5-difluorobenzonitrile (CAS: 64695-82-5) typically synthesized?

2-Bromo-4,5-difluorobenzonitrile is typically synthesized by the electrophilic aromatic substitution of 4,5-difluorobenzenecarbothioic acid hydrazide with bromine in the presence of base. This method provides good yield and selectivity, making it a common approach in the laboratory and industry.

What industries use 2-Bromo-4,5-difluorobenzonitrile (CAS: 64695-82-5)?

2-Bromo-4,5-difluorobenzonitrile (CAS: 64695-82-5) is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drug molecules and also finds applications in the development of new functional polymers with specific properties.

What precautions should be taken when handling 2-Bromo-4,5-difluorobenzonitrile (CAS: 64695-82-5)?

When handling 2-Bromo-4,5-difluorobenzonitrile (CAS: 64695-82-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood. In case of 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.