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1-Bromo-4-fluorobenzene-[d4]

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General Information
Catalog: BLP-012925
CAS: 50592-31-9
Molecular Formula: C6D4BrF
Molecular Weight: 179.02

Chemical Structure

Synonyms	4-Bromofluorobenzene-d4; 1-Bromo-4-fluorobenzene-d4; p-Bromofluorobenzene-d4; 3-Bromo-6-fluoro-benzene-1,2,4,5-d4
IUPAC Name	1-bromo-2,3,5,6-tetradeuterio-4-fluorobenzene
Related CAS	460-00-4 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1F)[2H])[2H])Br)[2H]
Canonical SMILES	C1=CC(=CC=C1F)Br
InChI	InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H/i1D,2D,3D,4D
InChI Key	AITNMTXHTIIIBB-RHQRLBAQSA-N
Boiling Point	150°C
Melting Point	-16°C
Purity	≥97% by HPLC; ≥95% atom D
Density	1.629 g/mL at 25°C
Solubility	Soluble in Chloroform (Sparingly), Ethyl Acetate (Slightly)
Appearance	Colourless Oily Matter
Storage	Store at 2-8°C