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| CAS No.: | 611-91-6 |
|---|---|
| Name: | 2,3-DIBROMO-3-PHENYLPROPIOPHENONE |
| Article Data: | 82 |
| Molecular Structure: | |
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| Formula: | C15H12Br2O |
| Molecular Weight: | 368.068 |
| 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; |
| EINECS: | 210-282-9 |
| Density: | 1.631g/cm3 |
| Melting Point: | 156 °C |
| Boiling Point: | 411.5°C at 760 mmHg |
| Flash Point: | 104.7°C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-26 |
| PSA: | 17.07000 |
| LogP: | 4.76900 |
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- Total:30 Page 1 of 1 1
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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 %.
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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.
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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