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Merck
CN

263508

4-(Trifluoromethyl)benzylamine

97%

Synonym(s):

((4-(Trifluoromethyl)phenyl)methyl)amine, (4-Trifluoromethylphenyl)methanamine, 1-(4-Trifluoromethylphenyl)methylamine, 1-[4-(Trifluoromethyl)phenyl]methanamine, 4-(Trifluoromethyl)benzenemethanamine, p-(Trifluoromethyl)benzylamine

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About This Item

Linear Formula:
CF3C6H4CH2NH2
CAS Number:
3300-51-4
Molecular Weight:
175.15
NACRES:
NA.22
PubChem Substance ID:
24855978
UNSPSC Code:
12352100
EC Number:
221-971-9
MDL number:
MFCD00010220
Assay:
97%
Form:
liquid

Key Documents

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InChI key

PRDBLLIPPDOICK-UHFFFAOYSA-N

InChI

1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2

SMILES string

NCc1ccc(cc1)C(F)(F)F

assay

97%

form

liquid

refractive index

n20/D 1.464 (lit.)

density

1.229 g/mL at 25 °C (lit.)

functional group

amine, fluoro

Quality Level

100

Gene Information

human ... AOC3(8639)
mouse ... Aoc3(11754)

Related Categories

Application

4-(Trifluoromethyl)benzylamine has been used in the synthesis of 3-[(2,4-dioxothiazolidin-5-yl)methyl]benzamide derivatives.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ7709
MKCX3383
0000249760
0000249760
MKCT1614

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M Nomura et al.
Bioorganic & medicinal chemistry letters, 9(4), 533-538 (1999-03-31)
A series of 3-[(2,4-dioxothiazolidin-5-yl)methyl]benzamide derivatives was prepared as part of a search for antidiabetic agents. A structure-activity relationship study of these compounds led to the identification of 5-[(2,4-dioxothiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluorome thyl)-phenyl]methyl]benzamide (KRP-297) as a candidate drug for the treatment of diabetes mellitus.
Simon H Rüdisser et al.
Journal of biomolecular NMR, 74(10-11), 579-594 (2020-06-20)
Fluorine NMR has recently gained high popularity in drug discovery as it allows efficient and sensitive screening of large numbers of ligands. However, the positive hits found in screening must subsequently be ranked according to their affinity in order to

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