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Cas Database |
| Name |
6-Bromo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one |
EINECS | N/A |
| CAS No. | 156755-23-6 | Density | 1.484g/cm3 |
| PSA | 26.30000 | LogP | 3.89010 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H11BrO2 | Boiling Point | 373.7 °C at 760 mmHg |
| Molecular Weight | 303.155 | Flash Point | 179.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-bromo-4-phenylchroman-2-one; |
Article Data | 3 |
6-Bromo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one Specification
The 6-Bromo-4-phenylchroman-2-one, with CAS registry number 156755-23-6, has the systematic name of 6-bromo-4-phenyl-3,4-dihydro-2H-chromen-2-one. Besides this, it is also called Chembrdg-BB 7041866. And the chemical formula of this chemical is C15H11BrO2.
Physical properties of 6-Bromo-4-phenylchroman-2-one: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 72.29 cm3; (9)Molar Volume: 204.1 cm3; (10)Polarizability: 28.66×10-24cm3; (11)Surface Tension: 49.2 dyne/cm; (12)Density: 1.484 g/cm3; (13)Flash Point: 179.8 °C; (14)Enthalpy of Vaporization: 62.1 kJ/mol; (15)Boiling Point: 373.7 °C at 760 mmHg; (16)Vapour Pressure: 8.8E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1OC(=O)CC(c1c2)c3ccccc3
(2)InChI: InChI=1/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
(3)InChIKey: KFKFQGCDFMGUCH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
(5)Std. InChIKey: KFKFQGCDFMGUCH-UHFFFAOYSA-N
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