2-Propen-1-one,1,3-bis(2-hydroxyphenyl)- supplier

Name
2,2'-DIHYDROXYCHALCONE
EINECS
CAS No. 15131-80-3
Article Data50
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point 161-162 °C
Formula C₁₅H₁₂O₃
Boiling Point 447.1 °C at 760 mmHg
Molecular Weight 240.258
Flash Point 238.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Chalcone,2,2'-dihydroxy- (6CI,7CI,8CI);1,3-Bis(2-hydroxyphenyl)-2-propen-1-one;2,2'-Dihydroxychalcone;NSC 636811;NSC 73256;2'-Hydroxy-3-(o-hydroxyphenyl)-acrylophenon;Acrylophenone, 2'-hydroxy-3-(o-hydroxyphenyl)-;
PSA 57.53000
LogP 2.99390

2-Propen-1-one,1,3-bis(2-hydroxyphenyl)- Specification

The 2-Propen-1-one,1,3-bis(2-hydroxyphenyl)-, with the CAS registry number 15131-80-3, is also known as 2,2'-Dihydroxychalcone. It belongs to the product category of Chalcones. This chemical's molecular formula is C₁₅H₁₂O₃ and molecular weight is 240.25. What's more, its systematic name is 2-Propen-1-one, 1,3-bis(2-hydroxyphenyl)-. Its classification code is Drug / Therapeutic Agent.

Physical properties of 2-Propen-1-one,1,3-bis(2-hydroxyphenyl)- are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 660.36; (6)ACD/BCF (pH 7.4): 455.59; (7)ACD/KOC (pH 5.5): 3624.96; (8)ACD/KOC (pH 7.4): 2500.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 70.87 cm³; (15)Molar Volume: 186.6 cm³; (16)Polarizability: 28.09×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 238.3 °C; (20)Enthalpy of Vaporization: 73.25 kJ/mol; (21)Boiling Point: 447.1 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1O)\C=C\c2ccccc2O
(2)InChI: InChI=1S/C15H12O3/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9+
(3)InChIKey: KSHCTKZLHCSARH-MDZDMXLPSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	unreported	602mg/kg (602mg/kg)		Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.

Product Name

2,2'-DIHYDROXYCHALCONE

2-Propen-1-one,1,3-bis(2-hydroxyphenyl)- Specification

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