2-Bromo-6-fluoroaniline

Basic Information

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CAS Number

65896-11-9

Molecular Formula

C6H5BrFN

Molecular Weight

190.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

211℃ at 760 mmHg

Density

1.674 g/mL at 20 °C

Refractive Index

n20/D 1.582(lit.)

SMILES

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

InChI

InChI=1S/C6H5BrFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2

InChIKey

ALZFPYUPNVLVQM-UHFFFAOYSA-N

LogP

2.1704

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

99.1

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

65896-11-9
SCHEMBL112272
CS-W007513
FT-0641040
2-(Ethoxycarbonyl)prop-2-en-1-yl phenyl sulfone
2-bromo-6-fluoro-aniline
2-bromo-6-flouroaniline
EN300-100611
AKOS005064016
AC-1579
ALZFPYUPNVLVQM-UHFFFAOYSA-N
DTXSID30382366
BCP27292
2-Bromo-6-fluoroaniline
MFCD01310982
AM61611
Benzenamine, 2-bromo-6-fluoro-
J-508453
SY021821
PS-8401
2-Bromo-6-fluoro-phenylamine
BDBM625956
2-Bromo-6-fluoroaniline, >=98.0% (GC)
2-BROMO-6-FLUORO ANILINE
B4803
2-Bromo-6-fluorobenzenamine
2-bromo-6-fluorophenylamine
6-fluoro-2-bromoaniline
Benzenamine,2-bromo-6-fluoro
PubChem2923
KSC493O8H

MDL Number

MFCD01310982

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Bromo-6-fluoroaniline (CAS: 65896-11-9)?

2-Bromo-6-fluoroaniline (CAS: 65896-11-9) is a solid at room temperature, with a molecular weight of approximately 187.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like acetone and ethanol. Chemically, it is less reactive compared to other aromatic amines but can undergo electrophilic aromatic substitution reactions, particularly with bromine. Its low reactivity and high stability make it useful in various synthetic processes.

How is 2-Bromo-6-fluoroaniline (CAS: 65896-11-9) typically synthesized?

2-Bromo-6-fluoroaniline (CAS: 65896-11-9) is typically synthesized through a coupling reaction of 6-fluoroaniline with bromine in the presence of a phase transfer catalyst, such as tetrabutylammonium bromide. The reaction proceeds under alkaline conditions to favor the formation of the brominated product. The yield is generally high, and the method provides good selectivity for the desired product.

What industries use 2-Bromo-6-fluoroaniline (CAS: 65896-11-9)?

2-Bromo-6-fluoroaniline (CAS: 65896-11-9) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those that require specific functional groups for further modification. It is also utilized in the polymer industry for the production of advanced polymers with specific properties. Additionally, its use in sensors and semiconductors is explored for its unique chemical properties.

What precautions should be taken when handling 2-Bromo-6-fluoroaniline (CAS: 65896-11-9)?

When handling 2-Bromo-6-fluoroaniline (CAS: 65896-11-9), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from incompatible materials such as strong acids and bases. In case of a spill, it should be cleaned up using appropriate procedures and with the assistance of safety professionals. Always refer to the Material Safety Data Sheet (MSDS) for specific handling and disposal information.