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| CAS No.: | 19672-59-4 |
|---|---|
| Name: | 4,4'-Dichlorochalcone |
| Article Data: | 121 |
| Molecular Structure: | |
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| Formula: | C15H10Cl2O |
| Molecular Weight: | 277.15 |
| Synonyms: | 1,3-bis(4-chlorophenyl)prop-2-en-1-one;4,4-Dichlorochalcone; |
| EINECS: | -0 |
| Density: | 1.296 g/cm3 |
| Melting Point: | 157-159°C |
| Boiling Point: | 420.1 °C at 760 mmHg |
| Flash Point: | 177.4 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 4.88950 |
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Specification
This chemical is called 4,4'-Dichlorochalcone, and it can also be named as 1,3-bis(4-chlorophenyl)-2-propen-1-one. With the molecular formula of C15H10Cl2O, its molecular weight is 277.15. The CAS registry number of this chemical is 19672-59-4, and its product category is Chalcones. However, this chemical should be stored sealed in the dry place, away from the oxides.
Other characteristics of the 4,4'-Dichlorochalcone can be summarised as followings: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 76.89 cm3; (9)Molar Volume: 213.7 cm3; (10)Polarizability: 30.48×10-24cm3; (11)Surface Tension: 48 dyne/cm; (12)Density: 1.296 g/cm3; (13)Flash Point: 177.4 °C; (14)Enthalpy of Vaporization: 67.39 kJ/mol; (15)Boiling Point: 420.1 °C at 760 mmHg; (16)Vapour Pressure: 2.88E-07 mmHg at 25°C.
Uses of this chemical: The 2,3-dibromo-1,3-bis-(4-chloro-phenyl)-propan-1-one could be obtained by the reactant of 4,4'-Dichlorochalcone. This reaction needs the reagent of Br2, and the solvent of benzene. The yield is 92 %. This reaction should be taken for 2 hours at the temperature of 20-25 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when 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.SMILES: O=C(c1ccc(Cl)cc1)\C=C\c2ccc(Cl)cc2
2.InChI: InChI=1/C15H10Cl2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
3.InChIKey: YMEMCRBNZSLQCQ-XCVCLJGOBN