3-Chloro-5-(trifluoromethyl)aniline

Basic Information

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CAS Number

69411-05-8

Molecular Formula

C7H5ClF3N

Molecular Weight

195.57 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

SMILES

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C1=C(C=C(C=C1N)Cl)C(F)(F)F

InChI

InChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2

InChIKey

OVENUGPMQDFGLE-UHFFFAOYSA-N

LogP

2.9410000000000007

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

159

Safety Information

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GHS Hazard Pictograms

H331

H302

H312

H315

H319

Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

3-chloro-5-trifluoromethylaniline
3-Chloro-5-trifluoromethyl-aniline
SCHEMBL1012745
EN300-133139
W-104624
3-Amino-5-chlorobenzotrifluoride
3-amino-5-chlorobenzotrifluoride, AldrichCPR
Benzenamine, 3-chloro-5-(trifluoromethyl)-
MFCD02684210
SY033056
AS-18505
CL8424
DTXSID50989250
NS00061922
3-Amino-5-chlorobenzotrifloride
5-amino-3-chloro-benzotrifluoride
3-Chloro-5-(trifluoromethyl)aniline
CS-W015716
5-amino-3chlorobenzotrifluoride
AM20041022
5-amino-3chloro-benzotrifluoride
AKOS006343925
EINECS 273-989-1
FT-0615001
AC-11534
69411-05-8
3-Chloro-5-trifluoromethylaniline
3-AMINO-5-CHLOROBENZOTRIFLORIDE
3-AMINO-5-CHOROBENZOTRIFLUORIDE
PubChem2791
OVENUGPMQDFGLE-UHFFFAOYSA-N

MDL Number

MFCD02684210

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 3-Chloro-5-(trifluoromethyl)aniline (CAS: 69411-05-8)?

3-Chloro-5-(trifluoromethyl)aniline is a white crystalline solid with a molecular weight of 242.02 g/mol. It has low water solubility and high solubility in organic solvents. This compound is known for its high reactivity, particularly in electrophilic aromatic substitution reactions. It is stable under normal conditions but reacts with bases to form anilides.

How is 3-Chloro-5-(trifluoromethyl)aniline (CAS: 69411-05-8) typically synthesized?

3-Chloro-5-(trifluoromethyl)aniline is typically synthesized via electrophilic aromatic substitution of p-chlorotoluene with trifluoroacetyl chloride. The reaction is catalyzed by a Lewis acid such as aluminum chloride. The process yields a high purity product with a yield of around 75-80%. The reaction is carried out in anhydrous chlorinated solvents under reflux.

What industries use 3-Chloro-5-(trifluoromethyl)aniline (CAS: 69411-05-8)?

3-Chloro-5-(trifluoromethyl)aniline is primarily used in pharmaceuticals, where it serves as a precursor for the synthesis of various drugs. It is also used in the manufacturing of certain dyes and polymers. Additionally, it can be used in the development of sensors and in organic semiconductor materials.

What precautions should be taken when handling 3-Chloro-5-(trifluoromethyl)aniline (CAS: 69411-05-8)?

When handling 3-Chloro-5-(trifluoromethyl)aniline, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.