4-Aminobenzotrifluoride hydrochloride

Basic Information

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CAS Number

90774-69-9

Molecular Formula

C7H7ClF3N

Molecular Weight

197.59 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

Melting Point

202°C

Boiling Point

190°Cat760mmHg

Flash Point

85℃

SMILES

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C1=CC(=CC=C1C(F)(F)F)N.Cl

InChI

InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H

InChIKey

CZGDYZDUMJDQSD-UHFFFAOYSA-N

LogP

2.709400000000001

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

124

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

Sensitiveness

Hygroscopic

Synonyms & References

English

4-Aminobenzotrifluoride hydrochloride
4-(Trifluoromethyl)aniline hydrochloride
4-(Trifluoromethyl)anilinium Chloride
p-(Trifluoromethyl)aniline hydrochloride
p-(Trifluoromethyl)anilinium chloride
4-(TrifluoroMethyl)aniline (hydrochloride)
4-(trifluoromethyl)aniline;hydrochloride
4-(trifluoromethyl)phenylamine, chloride
PubChem2816
C7H7ClF3N
Benzenamine, 4-(trifluoromethyl)-, hydrochloride
4-Aminobenzotrifluoride, HCl
CZGDYZDUMJDQSD-UHFFFAOYSA-N
SBB051729
PC0695
2810AF
4-aminobenzot
4-Aminobenzotrifluoride Hydrochloride
Benzenamine, 4-(trifluoromethyl)-, hydrochloride (9CI)
T3833
CS-15643
AKOS015849490
4-Trifluoromethyl-phenylammonium chloride
CS-0008093
4-trifluoromethylaniline hydrochloride
4-aminobenzotrifluoride, hydrochloride
4-(Trifluoromethyl)anilinehydrochloride
4-(Trifluoromethyl)aniline hydrochloride, 97%
EINECS 292-679-7
SCHEMBL2130181
MFCD00007897

MDL Number

MFCD00007897

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 4-Aminobenzotrifluoride hydrochloride (CAS: 90774-69-9)?

4-Aminobenzotrifluoride hydrochloride (CAS: 90774-69-9) is a crystalline solid with a molecular weight of approximately 289.91 g/mol. It is slightly soluble in water and highly soluble in organic solvents like DMSO and DMF. This compound is known for its high reactivity, particularly in nucleophilic aromatic substitution reactions.

How is 4-Aminobenzotrifluoride hydrochloride (CAS: 90774-69-9) typically synthesized?

4-Aminobenzotrifluoride hydrochloride is commonly synthesized through the reaction of 4-bromobenzotrifluoride with an excess of sodium azide followed by acid workup to form the hydrochloride salt. The process involves the formation of azide intermediate and subsequent displacement of bromine by amines to produce the final product.

What industries use 4-Aminobenzotrifluoride hydrochloride (CAS: 90774-69-9)?

4-Aminobenzotrifluoride hydrochloride (CAS: 90774-69-9) is primarily used in the pharmaceutical industry for the synthesis of various drug candidates. It is also utilized in the semiconductor industry for the preparation of organic electronic materials. Its reactivity makes it valuable in both academic and industrial research settings.

What precautions should be taken when handling 4-Aminobenzotrifluoride hydrochloride (CAS: 90774-69-9)?

When handling 4-Aminobenzotrifluoride hydrochloride (CAS: 90774-69-9), ensure the use of appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. This compound should be stored in a cool, dry location away from direct sunlight and flammable materials. Always work in a fume hood to minimize inhalation risks. Refer to the safety data sheet (SDS) for detailed safety information.