ChemicalBook--->CAS DataBase List--->3511-90-8

3511-90-8

3511-90-8 Structure

3511-90-8 Structure
IdentificationBack Directory
[Name]

4-Bromo-2,3,5,6-tetrafluoropyridine
[CAS]

3511-90-8
[Synonyms]

4-Bromotetrafluoropyridine
4-BROMO-2,3,5,6-TETRAFLUOROPYRIDINE
2,3,5,6-Tetrafluoro-4-bromopyridine
4-Bromo-2,3,5,6-tetrafluoropyridine,98%
4-BROMO-2,3,5,6-TETRAFLUOROPYRIDINE 98%
4-BROMO-2-CHLORO-3,5,6-TRIFLUOROPYRIDINE
[EINECS(EC#)]

203-809-9
[Molecular Formula]

C5BrF4N
[MDL Number]

MFCD08436090
[MOL File]

3511-90-8.mol
[Molecular Weight]

229.96
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

132-134
[Boiling point ]

134-135 °C(lit.)
[density ]

1.92 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.464(lit.)
[Fp ]

145 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

liquid
[pka]

-3.97±0.10(Predicted)
[color ]

Clear, pale yellow
[InChI]

1S/C5BrF4N/c6-1-2(7)4(9)11-5(10)3(1)8
[InChIKey]

YZCGGIUJABHGRQ-UHFFFAOYSA-N
[SMILES]

Fc1nc(F)c(F)c(Br)c1F
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

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.
[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.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium nitrite-->Hydrogen bromide-->Hydrogen fluoride-->Cuprous bromide-->4-AMINO-2,3,5,6-TETRAFLUOROPYRIDINE
[Preparation Products]

2,3,5,6-Tetrafluoropyridine
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromo-2,3,5,6-tetrafluoropyridine(3511-90-8)1HNMR
4-Bromo-2,3,5,6-tetrafluoropyridine(3511-90-8)FT-IR
4-Bromo-2,3,5,6-tetrafluoropyridine(3511-90-8)Raman
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