Skip to Content
Merck
All Photos(3)

Key Documents

View All Documentation

631752

Sigma-Aldrich

4-Amino-2-(trifluoromethyl)benzonitrile

97%

Synonym(s):

4-Cyano-3-trifluoromethylaniline

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

About This Item

Linear Formula:
NCC6H3(CF3)NH2
CAS Number:
654-70-6
Molecular Weight:
186.13
MDL number:
MFCD00042155
UNSPSC Code:
12352100
PubChem Substance ID:
24882442
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

141-145 °C (lit.)

SMILES string

Nc1ccc(C#N)c(c1)C(F)(F)F

InChI

1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2

InChI key

PMDYLCUKSLBUHO-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Application

4-Amino-2-(trifluoromethyl)benzonitrile can serve as starting material in the synthesis of benzimidazoles, which can act as potential candidates in the treatment of breast cancer due to their ability to inhibit the growth of endothelial cells.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H317

Hazard Classifications

Acute Tox. 4 Oral - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

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

Visit the Document Library

"Synthesis, characterization and evaluation of benzimidazole derivative and its precursors as inhibitors of MDA-MB-231 human breast cancer cell proliferation"
Thimmegowda.R.N, et al.
Bioorganic & Medicinal Chemistry, 18(1), 432-435 (2008)

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