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Basic Information
CAS No.: 51069-90-0
Name: 6-BROMO-4-CHLORO-3-FORMYLCOUMARIN 97
Molecular Structure:
Molecular Structure of 51069-90-0 (6-BROMO-4-CHLORO-3-FORMYLCOUMARIN 97)
Formula: C10H4BrClO3
Molecular Weight: 287.49
Synonyms: 6-Bromo-4-chloro-2-oxo-2H-chromene-3-carbaldehyde;
Density: 1.85 g/cm3
Melting Point: 163-167 °C(lit.)
Boiling Point: 425 °C at 760 mmHg
Flash Point: 210.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 47.28000
LogP: 3.02140
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Specification

The CAS registry number of 6-Bromo-4-chloro-3-formylcoumarin 97 is 51069-90-0. It belongs to the product categories of Building Blocks; Coumarins. This chemical is also named as 6-Bromo-4-chloro-3-formylcoumarin. In addition, its molecular formula is C10H4BrClO3 and molecular weight is 287.496. Its systematic name is called 6-Bromo-4-chloro-2-oxo-2H-chromene-3-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 2.59; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.664; (5)Molar Refractivity: 57.43 cm3; (6)Molar Volume: 154.8 cm3; (7)Surface Tension: 63.5 dyne/cm; (8)Density: 1.85 g/cm3; (9)Flash Point: 210.8 °C; (10)Enthalpy of Vaporization: 67.95 kJ/mol; (11)Boiling Point: 425 °C at 760 mmHg.

Uses of 6-Bromo-4-chloro-3-formylcoumarin 97: it can be used to produce 9-bromo-2-methyl-5-oxo-5H-chromeno[3,4-c]pyridine-1-carboxylic acid ethyl ester by heating. This reaction is a kind of cyclocondensation. It will need solvent methanol with reaction time of 6 hours. The yield is about 84 %.

6-Bromo-4-chloro-3-formylcoumarin 97 can be used to produce 9-bromo-2-methyl-5-oxo-5H-chromeno[3,4-c]pyridine-1-carboxylic acid ethyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1OC(=O)/C(=C(/Cl)c1c2)C=O
(2)InChI: InChI=1/C10H4BrClO3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
(3)InChIKey: IODFACUSJKQFGW-UHFFFAOYAZ