ChemicalBook--->CAS DataBase List--->50592-31-9

50592-31-9

50592-31-9 Structure

50592-31-9 Structure
IdentificationBack Directory
[Name]

4-BROMOFLUOROBENZENE-D4
[CAS]

50592-31-9
[Synonyms]

4-BROMOFLUOROBENZENE-D4
p-Bromofluorobenzene-d4
[2H4]-p-Bromofluorobenzene
1-Bromo-4-fluorobenzene-d4
Tofacitinib Impurity 39 Monomer
1-BROMO-4-FLUORO-BENZENE-RING-D4
1-bromo-4-fluorobenzene-2,3,5,6-d4
1-bromo-4-fluoro-[2,3,5,6-2H4]benzene
1-bromo-2,3,5,6-tetradeuterio-4-fluoro-benzene
[Molecular Formula]

C6BrD4F
[MDL Number]

MFCD01861659
[MOL File]

50592-31-9.mol
[Molecular Weight]

179.02
Chemical PropertiesBack Directory
[Melting point ]

-16 °C(lit.)
[Boiling point ]

150 °C(lit.)
[density ]

1.629 g/mL at 25 °C
[Fp ]

60 °C
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[InChI]

InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H/i1D,2D,3D,4D
[InChIKey]

AITNMTXHTIIIBB-RHQRLBAQSA-N
[SMILES]

C1(F)C([2H])=C(C(Br)=C([2H])C=1[2H])[2H]
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20-36/37/38
[Safety Statements ]

26
[WGK Germany ]

WGK 1
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

p-Bromofluorobenzene-d4 is the isotope labelled analog of p-Bromofluorobenzene (B684545); a dihalogenated benzene used in the preparation of pharmaceutical compounds such as atypical antipsychotic agents.
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMOFLUOROBENZENE-D4(50592-31-9)13CNMR
4-BROMOFLUOROBENZENE-D4(50592-31-9)19FNMR
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