3-Bromo-2-fluoroaniline

Basic Information

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CAS Number

58534-95-5

Molecular Formula

C6H5BrFN

Molecular Weight

190.01 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

228 ºC

Density

1.694

Flash Point

91 ºC

Refractive Index

1.597

SMILES

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

InChI

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

InChIKey

HYPQOSVTIONWSN-UHFFFAOYSA-N

LogP

2.1704

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

99.1

Synonyms & References

English

3-Brome-2-fluoroaniline
SY011957
58534-95-5
CS-W004725
3-bromo-2-fluorobenzenamine
A848976
AC-28511
AKOS006345737
AM20040785
PB43109
3-bromo-2-fluorophenylamine
A1-34731
PS-8403
SCHEMBL123021
3-Bromo-2-fluoroaniline
Benzenamine, 3-bromo-2-fluoro-
FT-0686968
CL8412
3-Bromo-2-fluoro-phenylamine
EN300-105104
MFCD09864700
DTXSID90625004
3-Bromo-2-fluorophenylamine
{ "\"0\"": "3-Bromo-2-fluorophenylamine" }
HYPQOSVTIONWSN-UHFFFAOYSA-N
1-AMINO-3-BROMO-2-FLUOROBENZENE
KSC249I9L
WT087
SBB091035
AS05295
LS10570

MDL Number

MFCD09864700

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 3-Bromo-2-fluoroaniline (CAS: 58534-95-5)?

3-Bromo-2-fluoroaniline is a white crystalline solid with a molecular weight of 171.01 g/mol. It has a melting point of 67-69°C and is only slightly soluble in water. It is reactive due to its aromatic nature and the presence of both a bromine and a fluorine substituent. It is also known to undergo electrophilic aromatic substitution reactions.

How is 3-Bromo-2-fluoroaniline (CAS: 58534-95-5) typically synthesized?

3-Bromo-2-fluoroaniline can be synthesized via the bromination of 2-fluoroaniline followed by reaction with a suitable brominating agent like N-bromosuccinimide (NBS) in the presence of a radical initiator. Other methods include direct bromination of the parent compound with hydrogen bromide in an appropriate solvent.

What industries use 3-Bromo-2-fluoroaniline (CAS: 58534-95-5)?

3-Bromo-2-fluoroaniline is used in the pharmaceutical industry for the synthesis of intermediates and in the semiconductor industry for doping agents. It is also utilized in the production of dyes and pigments. Its applications in polymers and sensors are less common but are being explored.

What precautions should be taken when handling 3-Bromo-2-fluoroaniline (CAS: 58534-95-5)?

3-Bromo-2-fluoroaniline should be handled in a well-ventilated area or fume hood due to its potential irritant properties. Protective equipment such as gloves, goggles, and a lab coat is essential. Spills should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.