2-Bromo-4-fluoroaniline

Basic Information

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CAS Number

1003-98-1

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

Melting Point

41 °C

Boiling Point

221°C

Refractive Index

n20/D 1.583(lit.)

SMILES

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

InChI

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

InChIKey

YLMFXCIATJJKQL-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

Sensitiveness

Sensitive to air

Synonyms & References

English

AC-3650
SCHEMBL79046
F0001-0039
FT-0611449
1003-98-1
2-bromo-4-fluoro-aniline
InChI=1/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
NSC-51870
B1829
2-Bromo-4-fluorobenzenamine
2-Bromo-4-fluoroaniline, 97%
YLMFXCIATJJKQL-UHFFFAOYSA-
2-bromo-4-fluoro-Benzenamine
EN300-35718
2-Mercapto-3-benzyloxypyridine
BENZENAMINE, 2-BROMO-4-FLUORO-
2-bromo-4-fluoro aniline
2-Bromo-4-fluoroaniline;2-BROMO-4-FLUORO-ANILINE
A1467
2-bromo4-fluoroaniline
2-Bromo-4-fluoroaniline
Z361887364
2-BROMO-4-FLUORO-PHENYLAMINE
AM20050538
MFCD00042462
PS-8402
DTXSID00287632
AKOS005145599
CS-W018523
NSC51870
BDBM626156

MDL Number

MFCD00042462

Customs Code

2921420090

FAQ

What is 2-Bromo-4-fluoroaniline (CAS: 1003-98-1)?

2-Bromo-4-fluoroaniline (1003-98-1) is an aromatic amine with a bromine atom at the 2-position and a fluorine atom at the 4-position on the benzene ring. Its chemical formula is C6H6BrFN, and it exhibits typical aniline properties, including basicity due to the amino group. The compound is a solid at room temperature and is commonly used as an intermediate in organic synthesis.

What are the main uses of 2-Bromo-4-fluoroaniline (CAS: 1003-98-1)?

2-Bromo-4-fluoroaniline (1003-98-1) is primarily utilized in pharmaceutical research as a building block for drug development, particularly in creating compounds with antifungal or antiviral activities. It also finds applications in the production of dyes, agrochemicals, and specialty chemicals. Its unique halogen substituents make it valuable for functional group modification in various industrial processes.

Is 2-Bromo-4-fluoroaniline (CAS: 1003-98-1) safe?

2-Bromo-4-fluoroaniline (1003-98-1) requires careful handling due to potential toxicity. It may cause skin and eye irritation, and inhalation or ingestion can be harmful. Safety standards recommend using personal protective equipment (PPE) like gloves and goggles, and ensuring proper ventilation. Always follow OSHA guidelines and consult safety data sheets (SDS) for safe exposure limits.

How should 2-Bromo-4-fluoroaniline (CAS: 1003-98-1) be stored?

2-Bromo-4-fluoroaniline (1003-98-1) should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed, inert container (e.g., glass or HDPE) to prevent moisture and air exposure. Avoid extreme temperatures and ensure storage conditions comply with chemical safety regulations for long-term preservation.