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643033

Sigma-Aldrich

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
MDL number:
MFCD00190124
UNSPSC Code:
12352100
PubChem Substance ID:
24883245
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.495

density

1.379 g/mL at 25 °C

SMILES string

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

InChI

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

InChI key

SRHQOQMNBVOXCF-UHFFFAOYSA-N

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H315,H317,H319

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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