Skip to Content
Merck
All Photos(3)

Key Documents

View All Documentation

Safety Information

A41801

Sigma-Aldrich

3-(Trifluoromethyl)aniline

≥99%

Synonym(s):

α,α,α-Trifluoro-m-toluidine, 3-Aminobenzotrifluoride

Sign Into View Organizational & Contract Pricing
All Photos(3)

About This Item

Linear Formula:
CF3C6H4NH2
CAS Number:
98-16-8
Molecular Weight:
161.12
Beilstein:
387672
EC Number:
202-643-4
MDL number:
MFCD00007797
UNSPSC Code:
12352100
PubChem Substance ID:
24890833
NACRES:
NA.22

vapor pressure

0.3 mmHg ( 20 °C)

Quality Level

100

Assay

≥99%

form

liquid

refractive index

n20/D 1.480 (lit.)

bp

187 °C (lit.)

mp

5-6 °C (lit.)

density

1.29 g/mL at 25 °C (lit.)

SMILES string

Nc1cccc(c1)C(F)(F)F

InChI

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

InChI key

VIUDTWATMPPKEL-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Irrit. 2

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water soluble liquid

JAN Code

A41801-5G:
A41801-VAR:
A41801-1KG:
A41801-500G:
A41801-BULK:
A41801-100G:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCT9633
MKCT0745
MKCS6615
MKCS0584
MKCP9011

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

E M Lenz et al.
Ecotoxicology and environmental safety, 54(2), 157-168 (2003-01-29)
19F nuclear magnetic resonance (NMR) spectroscopy was used as a specific tool to investigate the metabolism of 3-trifluoromethylaniline (3-TFMA) in the earthworm species Eisenia veneta. Exposure was via a filter-paper contact toxicity test using five exposure levels (1000, 100, 10
N Sundaraganesan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 67(1), 214-224 (2006-09-02)
In this work, we will report a combined experimental and theoretical study on molecular and vibrational structure of 3-aminobenzotrifluoride. The FT-Raman and Fourier transform infrared spectra of 3-aminobenzotrifluoride (3ABTF) were recorded in the liquid phase. The equilibrium geometry, harmonic vibrational
Hiroaki Imoto et al.
Chemistry, an Asian journal, 10(8), 1698-1702 (2015-06-23)
A mechanochromic luminescent dye based on a simple aminomaleimide skeleton was readily synthesized in a one-pot process. It exhibited an on/off mechanochromic luminescent switching property dependent on external stimuli, unlike a traditional mechanochromic color change. The green emission was turned
Anna Bielenica et al.
European journal of medicinal chemistry, 101, 111-125 (2015-06-30)
A total of 31 of thiourea derivatives was prepared reacting 3-(trifluoromethyl)aniline and commercial aliphatic and aromatic isothiocyanates. The yields varied from 35% to 82%. All compounds were evaluated in vitro for antimicrobial activity. Derivatives 3, 5, 6, 9, 15, 24 and
The many roles for fluorine in medicinal chemistry.
William K Hagmann
Journal of medicinal chemistry, 51(15), 4359-4369 (2008-06-24)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service