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340987

Sigma-Aldrich

4-(Trifluoromethoxy)benzylamine

95%

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About This Item

Linear Formula:
CF3OC6H4CH2NH2
CAS Number:
93919-56-3
Molecular Weight:
191.15
EC Number:
300-040-1
MDL number:
MFCD00061237
UNSPSC Code:
12352100
PubChem Substance ID:
24860885
NACRES:
NA.22

assay

95%

form

liquid

refractive index

n20/D 1.452 (lit.)

bp

57-60 °C/10 mmHg (lit.)

density

1.252 g/mL at 25 °C (lit.)

functional group

amine
fluoro

SMILES string

NCc1ccc(OC(F)(F)F)cc1

InChI

1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2

InChI key

DBGROTRFYBSUTR-UHFFFAOYSA-N

Related Categories

Application

4-(Trifluoromethoxy)benzylamine may be used in chemical synthesis.

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_germany

WGK 3

flash_point_f

172.4 °F - closed cup

flash_point_c

78 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW5628
MKCS1102
MKCL3005
MKCG4276
MKBS6096V

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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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