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263508

Sigma-Aldrich

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
EC Number:
221-971-9
MDL number:
MFCD00010220
UNSPSC Code:
12352100
PubChem Substance ID:
24855978
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.464 (lit.)

density

1.229 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

PRDBLLIPPDOICK-UHFFFAOYSA-N

Gene Information

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

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Application

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

167.0 °F - closed cup

Flash Point(C)

75 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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