50592-31-9

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50592-31-9 Structure

Identification	Back 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 Properties	Back 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 Data	Back 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 Information	Back 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 Detail	Back Directory
[Spectrum Detail] 4-BROMOFLUOROBENZENE-D4(50592-31-9)¹³CNMR 4-BROMOFLUOROBENZENE-D4(50592-31-9)¹⁹FNMR

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