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1-Propanone, 2,3-dibromo-1,3-diphenyl-

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1-Propanone, 2,3-dibromo-1,3-diphenyl-

EINECS 210-282-9
CAS No. 611-91-6 Density 1.631g/cm3
PSA 17.07000 LogP 4.76900
Solubility N/A Melting Point 156 °C
Formula C15H12Br2O Boiling Point 411.5°C at 760 mmHg
Molecular Weight 368.068 Flash Point 104.7°C
Transport Information N/A Appearance N/A
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 611-91-6 (2,3-DIBROMO-3-PHENYLPROPIOPHENONE) Hazard Symbols CorrosiveC
Synonyms

Propiophenone,2,3-dibromo-3-phenyl- (6CI,7CI,8CI);1,3-Diphenyl-2,3-dibromo-1-propanone;2,3-Dibromo-1,3-diphenyl-1-propanone;2,3-Dibromo-3-phenylpropiophenone;Benzalacetophenone dibromide;Chalcone dibromide;NSC 2715;

Article Data 82

1-Propanone, 2,3-dibromo-1,3-diphenyl- Specification

This chemical is called 1-Propanone, 2,3-dibromo-1,3-diphenyl-, and its CAS registry number is 611-91-6. With the molecular formula of C15H12Br2O, its molecular weight is 368.06. Additionally, it's off-white crystalline powder.

Other characteristics of the 1-Propanone, 2,3-dibromo-1,3-diphenyl- can be summarised as followings: (1)XLogP3-AA: 4.7; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 4; (5)Tautomer Count: 2; (6)Exact Mass: 367.923444; (7)MonoIsotopic Mass: 365.92549; (8)Topological Polar Surface Area: 17.1; (9)Heavy Atom Count: 18; (10)Formal Charge: 0; (11)Complexity: 268; (12)Undefined Atom StereoCenter Count: 2; (13)Covalently-Bonded Unit Count: 1; (14)Feature 3D Acceptor Count: 1; (15)Feature 3D Hydrophobe Count: 2; (16)Feature 3D Ring Count: 2; (17)Effective Rotor Count: 4; (18)Conformer Sampling RMSD: 0.6; (19)CID Conformer Count: 89.

Production method of this chemical: The 1-Propanone, 2,3-dibromo-1,3-diphenyl- could be obtained by the reactant of 1,3-diphenyl-propenone. This reaction needs the reagent of NaBr, NaBO3*4H2O, and the solvent of acetic acid. The yield is 82 %.

Uses of this chemical: The 1-Propanone, 2,3-dibromo-1,3-diphenyl- could react with 1H-imidazole, and obtain the 3-imidazol-1-yl-1,3-diphenyl-propenone. This reaction needs the reagent of triethylamine, and the solvent of benzene. The yield is 48 %. In addition, this reaction should be taken for 12 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.InChI: InChI=1/C15H12Br2O/c16-13(11-7-3-1-4-8-11)14(17)15(18)12-9-5-2-6-10-12/h1-10,13-14H
2.Smiles: C([C@@H]([C@@H](c1ccccc1)Br)Br)(=O)c1ccccc1

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