6-Bromo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one supplier

Name
CHEMBRDG-BB 7041866
EINECS
CAS No. 156755-23-6
Article Data3
CAS DataBase
Density 1.484g/cm³
Solubility
Melting Point
Formula C₁₅H₁₁BrO₂
Boiling Point 373.7 °C at 760 mmHg
Molecular Weight 303.155
Flash Point 179.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-bromo-4-phenylchroman-2-one;
PSA 26.30000
LogP 3.89010

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

Product Name

CHEMBRDG-BB 7041866

6-Bromo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one Specification

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