Description

Ethanone, 1,1′-[1,1′-biphenyl]-4,4′-diylbis[2-bromo- (CAS No. 4072-67-7) is a high-purity organic compound with the molecular formula C₁₆H₁₂Br₂O₂. This crystalline solid is a bifunctional brominated ketone derivative, characterized by its biphenyl core symmetrically substituted with 2-bromoacetyl groups. As a versatile building block in organic synthesis, it offers exceptional reactivity for nucleophilic substitution and cross-coupling reactions. Our product undergoes rigorous quality control to ensure ≥98% purity (HPLC) with detailed characterization including ¹H/¹³C NMR and mass spectrometry data. Suitable for pharmaceutical intermediates, materials science research, and as a precursor for conjugated polymers. Packaged under inert atmosphere in amber glass vials to ensure stability.

Properties

• CAS Number: 4072-67-7
• Complexity: 306
• IUPAC Name: 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone
• InChI: InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2
• InChI Key: RTSLQVZQORGDQQ-UHFFFAOYSA-N
• Exact Mass: 395.91836
• Molecular Formula: C16H12Br2O2
• Molecular Weight: 396.07
• SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)CBr)C(=O)CBr
• Topological: 34.1
• Monoisotopic Mass: 393.92040
• Synonyms: 4,4′-Bis(2-bromoacetyl)biphenyl, EINECS 223-785-3, Ethanone, 1,1′-[1,1′-biphenyl]-4,4′-diylbis[2-bromo-, DTXSID0063286, 1,1′-[1,1′-biphenyl]-4,4′-diylbis[2-bromoethan-1-one], Ethanone, 1,1′-(1,1′-biphenyl)-4,4′-diylbis(2-bromo-, 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone], 1,1′-(1,1′-Biphenyl)-4,4′-diylbis(2-bromoethan-1-one), 1,1′-(1,1′-Biphenyl)-4,4′-diylbis(2-bromoethanone), DTXCID5039806, 223-785-3, 4072-67-7, 1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis(2-bromoethanone), 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone, MFCD00017877, 4,4′-Bis(bromoacetyl)biphenyl, 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis(2-bromoethanone);2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone, C16H12Br2O2, NSC619613, UMK2D77YJA, 1,1′-(biphenyl-4,4′-diyl)bis(2-bromoethanone), 4,4′-bis-bromoacetylbiphenyl, p,p’-Bis(bromoacetyl)biphenyl, SCHEMBL689331, BCP11440, 2-bromo-1-[4′-(2-bromoacetyl)-[1,1′-biphenyl]-4-yl]ethan-1-one, AKOS015994936, NSC-619613, s11035, AC-28960, AS-60505, SY102966, 4,4′-BIS (2-BROMOACETYL) BIPHENYL, NS00030836, 4,4 inverted exclamation mark -Bis(2-bromoacetyl)biphenyl

Application

This compound serves as a key intermediate in the synthesis of organic electronic materials, particularly for creating conjugated systems in OLED and OPV applications. Researchers utilize its reactive bromoacetyl groups for efficient cross-coupling in polymer synthesis. The symmetrical bifunctional nature makes it valuable for creating rigid-rod polymers and molecular scaffolds. In medicinal chemistry, it finds use as a precursor for kinase inhibitor development.

Safety and Hazards

GHS Hazard Statements

• H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H400 (95.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.1%)
• Skin Corr. 1B (97.6%)
• Aquatic Acute 1 (95.1%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.