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General Information
Catalog: BLP-010238
CAS: 350820-19-8
Molecular Formula: C6D4BrNO2
Molecular Weight: 206.03
Chemical Structure
Catalog Number Size Price Stock Quantity
BLP-010238 25 mg $399 In stock
BLP-010238 100 mg $999 In stock
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Description 1-Bromo-4-nitrobenzene-[d4] - a deuterated analogue of 1-Bromo-4-nitrobenzene, a prominent organic compound studied for its CYP1A2 metabolism inhibitory potential in medicinal science. Its ubiquitous usage in pharmacokinetic studies of 1-Bromo-4-nitrobenzene-integrated drugs implicates its significance. It serves as an ideal candidate for studying the influence of deuterium substitution on drug pharmacokinetics and metabolism.
Synonyms 4-Bromonitrobenzene-d4; 4-Nitrobromobenzene-d4; 4-Nitrophenyl Bromide-d4; NSC 3526-d4
IUPAC Name 1-bromo-2,3,5,6-tetradeuterio-4-nitrobenzene
Related CAS 586-78-7 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[N+](=O)[O-])[2H])[2H])Br)[2H]
Canonical SMILES C1=CC(=CC=C1[N+](=O)[O-])Br
InChI InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1D,2D,3D,4D
Boiling Point 252.6±13.0°C at 760 mmHg
Melting Point 128-129°C (lit.)
Purity 98% atom D
Density 1.7±0.1 g/cm3
Solubility Soluble in Acetone, Chloroform, Dichloromethane, Ethanol, Ethyl Acetate and Methanol
Appearance Off-white to Light Yellow Solid
Storage Store at -20°C

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