4-Bromo-2-(trifluoromethyl)aniline

Basic Information

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CAS Number

445-02-3

Molecular Formula

C7H5BrF3N

Molecular Weight

240.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

33-34℃

Boiling Point

102°C/11mmHg

Refractive Index

n20/D 1.532(lit.)

SMILES

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C1=CC(=C(C=C1Br)C(F)(F)F)N

InChI

InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

InChIKey

PHXGKHTWEOPCEW-UHFFFAOYSA-N

LogP

3.0501000000000005

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

159

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 6.1 Class 6.1

Synonyms & References

English

o-Toluidine, 4-bromo-.alpha.,.alpha.,.alpha.-trifluoro-
AC-3724
2-Amino-5-bromobenzotrifluoride
AM20050549
2-Amino-5-bromotrifluorobenzene
A1056
4-Bromo-2-trifluoromethyl-phenylamine
SCHEMBL185578
2-(trifluoromethyl)-4-bromoaniline
PS-7594
4-Bromo-alpha,alpha,alpha-trifluoro-o-toluidine
NSC 88311
BB 0245946
MFCD00064393
NCIOpen2_005386
VRMASOSNJWYNSQ-UHFFFAOYSA-N
LY2Y65FS45
W-106193
NS00043418
4,4,5,5-Tetramethyl-2-(3,5-dihydro-2H-thiopyran-4-yl)-1,3,2-dioxaborolane
EINECS 207-150-8
4-Bromo-2-trifluoromethylaniline
NSC88311
4-Bromo-2-(trifluoromethyl)aniline
4-Bromo-2-(trifluoromethyl)aniline, 97%
FT-0611150
2-amino-5-bromo-benzotrifluoride
4-bromo-2-(trifluoromethyl)benzenamine
4-Bromo-.alpha.,.alpha.,.alpha.-trifluoro-o-toluidine
4-bromo-2-trifluoroaniline
A7068

MDL Number

MFCD00064393

Customs Code

2921420090

FAQ

What regulatory guidelines apply to 4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3)?

4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3) is subject to regulation under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its potential hazards. In Europe, it is governed by the REACH regulations. It is also regulated by the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) for its safety and environmental impact. Companies must ensure compliance with these guidelines by providing proper labeling, safety data sheets, and handling procedures.

Are there alternatives to 4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3) in synthesis?

While 4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3) is a specific compound, there are alternative reagents that can be used in its synthesis. For instance, 4-Chloro-2-(trifluoromethyl)aniline can be used as a bromine analog. Other alternatives include using different functional groups or modifying the substituents to achieve similar chemical properties without the bromine moiety.

What is the market or research trend for 4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3)?

The research and market trends for 4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3) are focused on its use in the preparation of pharmaceutical intermediates and organofluorine chemistry. Recent studies have explored its role in developing new drug candidates. The market is growing due to increasing demand from the pharmaceutical industry. Research is also expanding into its applications in organic synthesis and material science.

How should waste containing 4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3) be handled?

Waste containing 4-Bromo-2-(trifluoromethyl)aniline (CAS: 445-02-3) should be collected in appropriate containers and labeled with the correct hazard information. It should be handled according to the guidelines outlined in the safety data sheet (SDS). For disposal, the waste should be incinerated in a controlled environment or managed by a professional hazardous waste disposal service. Environmental precautions include ensuring no discharge of the waste into water bodies and minimizing exposure to air and soil to prevent contamination.