CAS 98-16-8

3-(Trifluoromethyl)aniline

Description:

3-(Trifluoromethyl)aniline, with the CAS number 98-16-8, is an aromatic amine characterized by the presence of a trifluoromethyl group (-CF3) attached to the aniline structure at the meta position. This compound has a molecular formula of C7H6F3N and features a benzene ring substituted with both an amino group (-NH2) and a trifluoromethyl group, which significantly influences its chemical properties. The trifluoromethyl group enhances the compound's lipophilicity and can affect its reactivity and stability. 3-(Trifluoromethyl)aniline is typically a colorless to pale yellow liquid or solid, depending on the temperature, and is known for its use in the synthesis of various pharmaceuticals, agrochemicals, and dyes. It exhibits moderate toxicity and should be handled with care, following appropriate safety protocols. The compound is also of interest in research due to its unique electronic properties imparted by the trifluoromethyl group, which can influence the behavior of the molecule in chemical reactions.

Formula: C₇H₆F₃N

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

InChI key: InChIKey=VIUDTWATMPPKEL-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(N)=CC=C1

Synonyms:

• 3-Amino-Alpha,Alpha,Alpha-Trifluorotoluene
• M-Aminobenzotrifluoride
• 3-(Trifluoromethyl)Benzenamine
• 3-Trifluoromethylaniline
• Alpha,Alpha,Alpha-Trifluoro-M-Toluidine
• Cga 72903
• 3-Aminobenzotrifluoride
• 3-(Trifluoromethyl)Aniline
• M-(Trifluoromethyl)aniline
• 1-Amino-3-(trifluoromethyl)benzene
• 3-(Trifluoromethyl)phenylamine
• 3-Amino-α,α,α-trifluorotoluene
• Aniline, 3-Trifluoromethyl-
• Benzenamine, 3-(trifluoromethyl)-
• m-Aminobenzal fluoride
• m-Amino-α,α,α-trifluorotoluene
• m-Toluidine, α,α,α-trifluoro-
• m-Trifluoromethylaniline
• Nsc 4540
• α,α,α-Trifluor-m-toluidin
• α,α,α-Trifluoro-m-toluidine

3-(Trifluoromethyl)aniline, 99%

CAS: 98-16-8

Used as pharmaceutical intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part

Formula: C₇H₆F₃N

Purity: 99%

Color and Shape: Clear colorless to yellow to orange, Liquid

Molecular weight: 161.13

Ref: 02-A15910

3-Aminobenzotrifluoride

CAS: 98-16-8

3-Aminobenzotrifluoride

Formula: C₇H₆F₃N

Purity: 99%

Color and Shape: clear. almost colourless liquid

Molecular weight: 161.12g/mol

Ref: 54-PC1030

3-Aminobenzotrifluoride

CAS: 98-16-8

3-Aminobenzotrifluoride

Formula: C₇H₆F₃N

Purity: 98%

Color and Shape: clear. colourless liquid

Molecular weight: 161.12444g/mol

Ref: 54-PC1030A

3-Aminobenzotrifluoride

CAS: 98-16-8

Formula: C₇H₆F₃N

Purity: >99.0%(GC)

Color and Shape: Colorless to Light yellow to Light orange clear liquid

Molecular weight: 161.13

Ref: 3B-A0434

Aromatic Comp.-Mix 16 10-20 µg/mL in Methanol

Controlled Product

CAS: 106-40-1, 106-47-8, 108-42-9, 121-69-7, 554-00-7, 608-31-1, 626-43-7, 634-67-3, 636-30-6, 87-62-7, 88-17-5, 95-51-2, 95-53-4, 95-69-2, 95-74-9, 95-76-1, 98-16-8

Formula: C₆H₄Cl₃N

Color and Shape: Mixture

Molecular weight: 196.46

Ref: 04-LA19070016ME

3-(Trifluoromethyl)aniline

Controlled Product

CAS: 98-16-8

Formula: C₇H₆F₃N

Color and Shape: Yellow

Molecular weight: 161.12

Ref: 86-MM0161.06

3-Trifluoromethylaniline

Controlled Product

CAS: 98-16-8

Formula: C₇H₆F₃N

Color and Shape: Neat

Molecular weight: 161.12

Ref: 04-C17845000

3-Aminobenzotrifluoride

CAS: 98-16-8

Formula: C₇H₆F₃N

Purity: ≥ 99.0%

Color and Shape: Clear, colourless to pale yellow liquid

Molecular weight: 161.13

Ref: 7W-GK5470

Niflumic Acid EP Impurity C

CAS: 98-16-8

Formula: C₇H₆F₃N

Molecular weight: 161.13

Ref: 4Z-N-123005

Flutamide EP Impurity D

CAS: 98-16-8

Formula: C₇H₆F₃N

Molecular weight: 161.13

Ref: ST-EA-CP-F22004

Niflumic Acid EP Impurity C

CAS: 98-16-8

Formula: C₇H₆F₃N

Molecular weight: 161.13

Ref: ST-EA-CP-N78004

3-Aminobenzotrifluoride

Controlled Product

CAS: 98-16-8

Applications 3-Aminobenzotrifluoride is a known human toxin that can cause bacterial mutation and hepatocyte unscheduled DNA synthesis.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Reinhold, D., et al.: T. ASAE, 49, 2077 (2006); Thompson, C., et al.: Environ. Mutagen., 5, 803 (1983)

Formula: C₇H₆F₃N

Color and Shape: Yellow

Molecular weight: 161.12

Ref: TR-A591720

3-Aminobenzotrifluoride

CAS: 98-16-8

3-Aminobenzotrifluoride is a chemical substance that can be used as an intermediate in the synthesis of pharmaceuticals. It is an aryl halide and has been shown to react with hydrogen fluoride, hydrochloric acid, nitrous acid, and trifluoroacetic acid to produce 3-aminobenzotrifluoride derivatives. This product is not readily bioavailable due to its low solubility in water and high lipophilicity. The preparation of 3-aminobenzotrifluoride requires a sample preparation step such as diazonium salt or diphenyl ether. Magnetic resonance spectroscopy has been used to identify the chemical structures of 3-aminobenzotrifluoride derivatives.

Formula: C₇H₆F₃N

Purity: Min. 95%

Color and Shape: Colorless Clear Liquid

Molecular weight: 161.12 g/mol

Ref: 3D-FA36984