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| CAS No.: | 644-78-0 |
|---|---|
| Name: | 2-HYDROXYCHALCONE |
| Article Data: | 103 |
| Molecular Structure: | |
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| Formula: | C15H12O2 |
| Molecular Weight: | 224.259 |
| Synonyms: | Chalcone,2-hydroxy- (6CI,7CI,8CI);1-Phenyl-3-(2-hydroxyphenyl)-2-propenone;2-Hydroxychalcone;3-(2-Hydroxyphenyl)-1-phenyl-2-propen-1-one;3-(2-Hydroxyphenyl)-1-phenylpropenone;3-(o-Hydroxyphenyl)acrylophenone;NSC37432;NSC 640539;Salicylideneacetophenone;o-Hydroxystyryl phenyl ketone; |
| EINECS: | 211-422-1 |
| Density: | 1.191 g/cm3 |
| Melting Point: | 144-150 °C(lit.) |
| Boiling Point: | 396.3 °C at 760 mmHg |
| Flash Point: | 169.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 3.28830 |
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Specification
The 2-Hydroxychalcone, with the CAS registry number 644-78-0, is also known as 2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl-. It belongs to the product categories of Chalcones; Biochemistry; Building Blocks for Liquid Crystals; Chalcones, etc. (Building Blocks for Liquid Crystals); Flavonoids; Functional Materials. Its EINECS registry number is 211-422-1. This chemical's molecular formula is C15H12O2 and molecular weight is 224.25. Its IUPAC name is called (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one.
Physical properties of 2-Hydroxychalcone: (1)ACD/LogP: 4.03; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Index of Refraction: 1.653; (6)Molar Refractivity: 68.99 cm3; (7)Molar Volume: 188.2 cm3; (8)Surface Tension: 52.1 dyne/cm; (9)Density: 1.191 g/cm3; (10)Flash Point: 169.3 °C; (11)Enthalpy of Vaporization: 67.18 kJ/mol; (12)Boiling Point: 396.3 °C at 760 mmHg; (13)Vapour Pressure: 7.53E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-hydroxy-benzaldehyde and 1-phenyl-ethanone. This reaction will need reagent diluted NaOH-solution, alcohol, water.
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Uses of 2-Hydroxychalcone: it can be used to produce 2-hydroxychalcone peroxide at ambient temperature . This reaction will need reagent 80percent t-butylhydroperoxide, 10percent NaOH and solvent CH2Cl2, H2O with reaction time of 30 hours. The yield is about 88%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O
(2)Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O
(3)InChI: InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+
(4)InChIKey: UDOOPSJCRMKSGL-ZHACJKMWSA-N