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About This Item
Empirical Formula (Hill Notation):
C4HCl3N2
CAS Number:
Molecular Weight:
183.42
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
99%
refractive index
n20/D 1.574 (lit.)
density
1.6001 g/mL at 25 °C (lit.)
functional group
chloro
SMILES string
Clc1cnc(Cl)nc1Cl
InChI
1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChI key
GIKMWFAAEIACRF-UHFFFAOYSA-N
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signalword
Warning
hcodes
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
>229.8 °F
flash_point_c
> 109.9 °C
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Suman Rao et al.
Cell chemical biology, 26(6), 818-829 (2019-04-16)
Covalent kinase inhibitors, which typically target cysteine residues, represent an important class of clinically relevant compounds. Approximately 215 kinases are known to have potentially targetable cysteines distributed across 18 spatially distinct locations proximal to the ATP-binding pocket. However, only 40
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