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
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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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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