631752
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:
Molecular Weight:
186.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
Quality Level
assay
97%
form
solid
mp
141-145 °C (lit.)
functional group
fluoro, nitrile
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
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 631752-5G | 04061832721224 |
| 631752-1G | 04061832721217 |