1-Bromo-3-fluoro-2-nitrobenzene

Basic Information

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CAS Number

886762-70-5

Molecular Formula

C6H3BrFNO2

Molecular Weight

220 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

38.0 to 42.0 deg-C

Boiling Point

232°C at 760 mmHg

Density

1.808

Flash Point

94.1°C

Refractive Index

1.579

SMILES

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C1=CC(=C(C(=C1)Br)[N+](=O)[O-])F

InChI

InChI=1S/C6H3BrFNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H

InChIKey

VFPAOFBPEYCAAZ-UHFFFAOYSA-N

LogP

3.01960

Complexity

161

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

1-Bromo-3-fluoro-2-nitrobenzene
2-Bromo-6-fluoronitrobenzene
Benzene,1-bromo-3-fluoro-2-nitro-
C6H3BrFNO2
1-bromo-3-fluoro-2-nitro-benzene
2-fluoro-6-bromonitrobenzene
Benzene, 1-bromo-3-fluoro-2-nitro-
PubChem18516
KSC494E8D
VFPAOFBPEYCAAZ-UHFFFAOYSA-N
WT471
EBD23178
BCP11728
STL554468
CL8951
SBB068702
BBL100674
TF10519
CM12092
MB04477
AS05651
1-bromo-3-fluoro-2-nitrobenzene
1-Bromo-3-fluoro-2-nitrobenzene (ACI)
DTXCID90333490
J-504422
SCHEMBL418362
886762-70-5
AKOS005254662
AS-18592
DTXSID10382465
B4842

MDL Number

MFCD07368788

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5)?

1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5) is a crystalline compound with a molecular weight of approximately 237.03 g/mol. It is slightly soluble in water but soluble in organic solvents such as ethanol and acetone. Chemically, it is reactive towards nucleophiles, particularly bromide ions, and shows typical electrophilic aromatic substitution reactivity. It has a melting point of around 68-70°C and a boiling point of about 222-224°C under reduced pressure.

How is 1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5) typically synthesized?

1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5) is synthesized by bromination of 3-fluoro-2-nitrobenzene with bromine in the presence of a phase transfer catalyst, such as tetra-n-butylammonium bromide. The reaction is typically conducted in a non-aqueous solvent like acetonitrile or N,N-dimethylformamide (DMF). The yield is usually high, and the product is isolated by recrystallization or distillation.

What industries use 1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5)?

1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5) is used in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients (APIs), particularly in the development of antiviral and anti-inflammatory drugs. It is also employed in the polymer industry for the preparation of specialty polymers with unique properties, and in the semiconductor industry for the fabrication of thin films and other electronic components.

What precautions should be taken when handling 1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5)?

When handling 1-Bromo-3-fluoro-2-nitrobenzene (CAS: 886762-70-5), appropriate personal protective equipment (PPE) is essential, including safety goggles, gloves, and lab coats. It should be handled in a fume hood to minimize exposure to vapors. Spills should be immediately cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage recommendations.