6-BROMO-3-FORMYLCHROMONE

The 4H-1-Benzopyran-3-carboxaldehyde,6-bromo-4-oxo-, with CAS registry number 52817-12-6, belongs to the following product category: Chromones. It has the systematic name of 6-bromo-4-oxo-4H-chromene-3-carbaldehyde. And the chemical formula of this chemical is C₁₀H₅BrO₃.

Physical properties of 4H-1-Benzopyran-3-carboxaldehyde,6-bromo-4-oxo-: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.62; (6)ACD/BCF (pH 7.4): 15.62; (7)ACD/KOC (pH 5.5): 248.91; (8)ACD/KOC (pH 7.4): 248.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 54.06 cm³; (15)Molar Volume: 137.8 cm³; (16)Polarizability: 21.43×10^-24cm³; (17)Surface Tension: 72.2 dyne/cm; (18)Density: 1.835 g/cm³; (19)Flash Point: 175 °C; (20)Enthalpy of Vaporization: 61.21 kJ/mol; (21)Boiling Point: 365.7 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-05 mmHg at 25°C.

Uses of 4H-1-Benzopyran-3-carboxaldehyde,6-bromo-4-oxo-: it can be used to produce 6-bromo-3-[1,3]dioxolan-2-yl-chromen-4-one. This reaction will need sovlent benzene. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
The 4H-1-Benzopyran-3-carboxaldehyde,6-bromo-4-oxo- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1O/C=C(\C(=O)c1c2)C=O
(2)InChI: InChI=1/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
(3)InChIKey: PCEZXSJBHMOQFT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
(5)Std. InChIKey: PCEZXSJBHMOQFT-UHFFFAOYSA-N