2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)- supplier

Name
4'-BROMO-2-CHLOROCHALCONE
EINECS
CAS No. 86293-48-3
Article Data2
CAS DataBase
Density 1.475 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₀BrClO
Boiling Point 432.2 °C at 760 mmHg
Molecular Weight 321.601
Flash Point 215.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Chalcone, 4'-bromo-2-chloro- (6CI);(2E)-1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one;4'-Bromo-2-chlorochalcone;
PSA 17.07000
LogP 4.99860

2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)- Specification

The 2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)-, with the CAS registry number 86293-48-3, is also known as 4'-Bromo-2-chlorochalcone. This chemical's molecular formula is C₁₅H₁₀BrClO and molecular weight is 321.6. What's more, its systematic name is (2E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one.

Physical properties of 2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)- are: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 6646.86; (6)ACD/BCF (pH 7.4): 6646.86; (7)ACD/KOC (pH 5.5): 18959.21; (8)CD/KOC (pH 7.4): 18959.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 79.69 cm³; (15)Molar Volume: 217.9 cm³; (16)Polarizability: 31.59×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 215.2 °C; (20)Enthalpy of Vaporization: 68.79 kJ/mol; (21)Boiling Point: 432.2 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)\C=C\c2ccccc2Cl
(2)InChI: InChI=1S/C15H10BrClO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+
(3)InChIKey: BEAOMTXVYPADSY-JXMROGBWSA-N

Product Name

4'-BROMO-2-CHLOROCHALCONE

2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)- Specification

Related Products

Hot Products