2-Bromo-3-fluoroaniline

Basic Information

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CAS Number

111721-75-6

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

Physical State

Light-green to Brown Solid

Water Solubility

Slightly soluble in water.

Flash Point

94°(201°F)

Refractive Index

1.5830

SMILES

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

InChI

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

InChIKey

XZRSXRUYZXBTGD-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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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

MFCD07369915
2-Bromo-3-fluoroaniline, AldrichCPR
XZRSXRUYZXBTGD-UHFFFAOYSA-N
AKOS005259412
(2-bromo-3-fluoro-phenyl)-amine
BENZENAMINE, 2-BROMO-3-FLUORO-
EN300-142398
AC-1578
2-Bromo-3-fluorophenylamine
FT-0601367
J-508223
2-Bromo-3-fluoroaniline
SY019784
A13660
111721-75-6
2-bromo-3-fluorobenzenamine
2-Bromo-3-fluoro-phenylamine
2-bromo-3-fluorobenzenamine;2-BROMO-3-FLUORO-PHENYLAMINE
SCHEMBL112689
PS-8396
AM20050229
DTXSID10563838
PB39606
CS-W003391
2-BROMO-3-FLUORO-PHENYLAMINE
Bromo-3-fluoroaniline
2-bromo-3-fluoroaniline

MDL Number

MFCD07369915

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Bromo-3-fluoroaniline (CAS: 111721-75-6)?

2-Bromo-3-fluoroaniline is a white crystalline solid with a molecular weight of approximately 226.01 g/mol. It is slightly soluble in water and readily soluble in organic solvents like ethanol. Chemically, it is a weak base and demonstrates moderate reactivity towards nucleophiles, making it useful in various chemical reactions. Its physical properties include a melting point of 73-74°C and a boiling point of 242-244°C under reduced pressure.

How is 2-Bromo-3-fluoroaniline (CAS: 111721-75-6) typically synthesized?

2-Bromo-3-fluoroaniline is typically synthesized via the bromination of 3-fluoroaniline. This process often involves the use of bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction is carried out in an organic solvent, and the yield is generally good, with high selectivity towards the desired product.

What industries use 2-Bromo-3-fluoroaniline (CAS: 111721-75-6)?

2-Bromo-3-fluoroaniline is used primarily in the pharmaceutical industry, where it serves as a precursor for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for the production of certain functional polymers. Additionally, it is utilized in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 2-Bromo-3-fluoroaniline (CAS: 111721-75-6)?

When handling 2-Bromo-3-fluoroaniline, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials and the cleanup area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.