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Merck
CN

643033

4-Chloro-3-(trifluoromethyl)benzylamine

97%

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About This Item

Linear Formula:
F3CC6H3(Cl)CH2NH2
CAS Number:
62039-92-3
Molecular Weight:
209.60
NACRES:
NA.22
PubChem Substance ID:
24883245
UNSPSC Code:
12352100
MDL number:
MFCD00190124
Assay:
97%

Key Documents

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InChI

1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2

SMILES string

NCc1ccc(Cl)c(c1)C(F)(F)F

InChI key

SRHQOQMNBVOXCF-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.495

density

1.379 g/mL at 25 °C

functional group

amine, chloro, fluoro

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

wgk

WGK 3

flash_point_f

>230.0 °F

flash_point_c

> 110 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ0674V
02219DE

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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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