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73220-38-9

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Basic Information
CAS No.: 73220-38-9
Name: 3-BROMO-6-CHLOROCHROMONE
Article Data: 2
Molecular Structure:
Molecular Structure of 73220-38-9 (3-BROMO-6-CHLOROCHROMONE)
Formula: C9H4BrClO2
Molecular Weight: 259.487
Synonyms: 3-Bromo-6-chlorochromen-4-one;
Density: 1.835 g/cm3
Melting Point: 128-130℃
Boiling Point: 318 °C at 760 mmHg
Flash Point: 146.1 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 30.21000
LogP: 3.20890
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Specification

The 4H-1-Benzopyran-4-one,3-bromo-6-chloro-, with the CAS registry number of 73220-38-9, is also known as 3-Bromo-6-chlorochromen-4-one. It belongs to the product categoryof Chromones. Its molecular formula is C9H4BrClO2 and molecular weight is 259.48. What's more, its systematic name is 3-Bromo-6-chloro-4H-chromen-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,3-bromo-6-chloro- are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.663; (8)Molar Refractivity: 52.44 cm3; (9)Molar Volume: 141.4 cm3; (10)Surface Tension: 58.9 dyne/cm; (11)Density: 1.835 g/cm3; (12)Flash Point: 146.1 °C; (13)Enthalpy of Vaporization: 55.94 kJ/mol; (14)Boiling Point: 318 °C at 760 mmHg; (15)Vapour Pressure: 0.000372 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 6-Chloro-3-phenyl-chromen-4-one. This reaction needs reagent Na2CO3. Meanwhile, it needs solvent H2O. The reaction time is 23 h. The yield is about 71 %.

The 4H-1-Benzopyran-4-one,3-bromo-6-chloro- can react with Phenylboronic acid to get 6-Chloro-3-phenyl-chromen-4-one

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc1O/C=C(/Br)C(=O)c1c2
(2) InChI: InChI=1/C9H4BrClO2/c10-7-4-13-8-2-1-5(11)3-6(8)9(7)12/h1-4H
(3) InChIKey: ZILSBPAUJJBEFF-UHFFFAOYAO