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About This Item
Empirical Formula (Hill Notation):
C5BrF4N
CAS Number:
Molecular Weight:
229.96
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Quality Segment
assay
98%
refractive index
n20/D 1.464 (lit.)
bp
134-135 °C (lit.)
density
1.92 g/mL at 25 °C (lit.)
functional group
bromo, fluoro
SMILES string
Fc1nc(F)c(F)c(Br)c1F
InChI
1S/C5BrF4N/c6-1-2(7)4(9)11-5(10)3(1)8
InChI key
YZCGGIUJABHGRQ-UHFFFAOYSA-N
General description
4-Bromo-2,3,5,6-tetrafluoropyridine is also referred as 4-bromotetrafluoropyridine. Regioselective nucleophilic substitution and palladium catalyzed Suzuki-Miyaura reactions of 4-bromo-2,3,5,6-tetrafluoropyridine has been reported. Quantum mechanical calculations of energies, geometries and vibrational wave numbers of 4-bromo-2,3,5,6-tetrafluoropyridine have been evaluated by density functional theory.
Application
4-Bromo-2,3,5,6-tetrafluoropyridine was used in the preparation of 2,3,5,6-tetrafluoro-pyridylcadmium or 2,3,5,6-tetrafluoropyridylzinc reagent.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
145.4 °F - closed cup
flash_point_c
63 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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