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assay
98%
SMILES string
[Br-].C[P+](C)(C)C
InChI
1S/C4H12P.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
InChI key
ZTXFOCMYRCGSMU-UHFFFAOYSA-M
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Physical chemistry chemical physics : PCCP, 21(14), 7635-7644 (2019-03-27)
Theoretical prediction of catalytic performance is crucial for the rational design of novel catalysts. In this study, density functional theory (DFT) simulations were carried out to predict the catalytic performance of four ionic liquids (ILs) used as novel non-metal catalysts
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