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Key Documents

542822

Sigma-Aldrich

4-(Trifluoromethyl)benzamidoxime

97%

Synonym(s):

N-Hydroxy-4-(trifluoromethyl)benzamidine

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About This Item

Linear Formula:
CF3C6H4C(=NOH)NH2
CAS Number:
Molecular Weight:
204.15
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

mp

125-130 °C (lit.)

SMILES string

N\C(=N/O)c1ccc(cc1)C(F)(F)F

InChI

1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)

InChI key

QCVFLUSIBKAKPC-UHFFFAOYSA-N

Related Categories

Application

4-(Trifluoromethyl)benzamidoxime (N-Hydroxy-4-(trifluoromethyl)benzamidine) may be used to synthesize 5-(3-chlorothiophen-2-yl)-3-(4-trifluoromethylphenyl)-1,2,4-oxadiazole, a potential anticancer agent.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


Certificates of Analysis (COA)

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Han-Zhong Zhang et al.
Journal of medicinal chemistry, 48(16), 5215-5223 (2005-08-05)
We have identified 5-(3-chlorothiophen-2-yl)-3-(4-trifluoromethylphenyl)-1,2,4-oxadiazole (1d) as a novel apoptosis inducer through our caspase- and cell-based high-throughput screening assay. Compound 1d has good activity against several breast and colorectal cancer cell lines but is inactive against several other cancer cell lines.

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