643033
4-Chloro-3-(trifluoromethyl)benzylamine
97%
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About This Item
Linear Formula:
F3CC6H3(Cl)CH2NH2
CAS Number:
Molecular Weight:
209.60
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
97%
refractive index
n20/D 1.495
density
1.379 g/mL at 25 °C
functional group
amine
chloro
fluoro
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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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