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2'-Hydroxychalcone

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Name

2'-Hydroxychalcone

EINECS 214-928-0
CAS No. 1214-47-7 Density 1.191 g/cm3
PSA 37.30000 LogP 3.28830
Solubility N/A Melting Point 86-88 °C(lit.)
Formula C15H12O2 Boiling Point 396.566 °C at 760 mmHg
Molecular Weight 224.259 Flash Point 169.35 °C
Transport Information N/A Appearance luidity powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1214-47-7 (2'-HYDROXYCHALCONE) Hazard Symbols IrritantXi
Synonyms

Chalcone,2'-hydroxy- (6CI,7CI,8CI);1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one;2-(3-Phenyl-2-propenoyl)phenol;2'-Hydroxychalcone;3-Phenyl-1-(2-hydroxyphenyl)-2-propen-1-one;NSC 18939;RVC 556;o-Cinnamoylphenol;o-Hydroxychalcone;

Article Data 152

2'-Hydroxychalcone Specification

The 2'-Hydroxychalcone, with the CAS registry number 1214-47-7, is also known as 3-Phenyl-1-(2-hydroxyphenyl)-2-propen-1-one. It belongs to the product categories of Biochemistry; Building Blocks for Liquid Crystals; Chalcones, etc. (Building Blocks for Liquid Crystals); Flavonoids; Functional Materials. Its EINECS number is 214-928-0. This chemical's molecular formula is C15H12O2 and molecular weight is 224.25. What's more, its systematic name is 1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one. Its classification code is Drug / Therapeutic Agent. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. It is used as intermediate of Propafenone.

Physical properties of 2'-Hydroxychalcone are: (1)ACD/LogP: 3.999; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.00; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 640.95; (6)ACD/BCF (pH 7.4): 451.48; (7)ACD/KOC (pH 5.5): 3548.66; (8)ACD/KOC (pH 7.4): 2499.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 68.99 cm3; (15)Molar Volume: 188.254 cm3; (16)Polarizability: 27.35×10-24cm3; (17)Surface Tension: 52.19 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 169.35 °C; (20)Enthalpy of Vaporization: 67.212 kJ/mol; (21)Boiling Point: 396.566 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 2'-Hydroxychalcone: this chemical can be prepared by 1-(2-hydroxy-phenyl)-ethanone and benzaldehyde at the ambient temperature. This reaction will need reagent KOH and solvents ethanol, H2O with the reaction time of 10 hours. The yield is about 57%.

2'-Hydroxychalcone can be prepared by 1-(2-hydroxy-phenyl)-ethanone and benzaldehyde at the ambient temperature

Uses of 2'-Hydroxychalcone: it can be used to produce 3-chloro-2-phenyl-chromen-4-one by heating. It will need reagent copper(II) chloride-DMSO with the reaction time of 2 hours. The yield is about 80%.

2'-Hydroxychalcone can be used to produce 3-chloro-2-phenyl-chromen-4-one by heating

When you are using this chemical, please be cautious about it as the following:
This chemical 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. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1O)\C=C\c2ccccc2
(2)Std. InChI: InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
(3)Std. InChIKey: AETKQQBRKSELEL-ZHACJKMWSA-N

The toxicity data is as follows: 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 620mg/kg (620mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.

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