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631752

Sigma-Aldrich

4-Amino-2-(trifluoromethyl)benzonitrile

97%

Synonym(s):

4-Cyano-3-trifluoromethylaniline

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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

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

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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)

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"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)

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