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7319-63-3

Basic Information
CAS No.: 7319-63-3
Name: 2-BROMO-1,3-INDANEDIONE
Article Data: 21
Molecular Structure:
Molecular Structure of 7319-63-3 (2-BROMO-1,3-INDANEDIONE)
Formula: C9H5BrO2
Molecular Weight: 225.041
Synonyms: 2-Bromo-1,3-indanedione;
Density: 1.787 g/cm3
Melting Point: 118-120 °C
Boiling Point: 334.9 °C at 760 mmHg
Flash Point: 139.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 34.14000
LogP: 1.82910
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Specification

The 2-Bromoindene-1,3-dione is an organic compound with the formula C9H5BrO2. The IUPAC name of this chemical is 2-bromoindene-1,3-dione. With the CAS registry number 7319-63-3, it is also named as 1H-indene-1,3(2H)-dione, 2-bromo-.

Physical properties about 2-Bromoindene-1,3-dione are: (1)ACD/LogP: 1.82; (2)#H bond acceptors: 2; (3)Polar Surface Area: 34.14 Å2; (4)Index of Refraction: 1.66; (5)Molar Refractivity: 46.47 cm3; (6)Molar Volume: 125.8 cm3; (7)Polarizability: 18.42×10-24cm3; (8)Surface Tension: 62.3 dyne/cm; (9)Density: 1.787 g/cm3; (10)Flash Point: 139.8 °C; (11)Enthalpy of Vaporization: 57.79 kJ/mol; (12)Boiling Point: 334.9 °C at 760 mmHg; (13)Vapour Pressure: 0.000124 mmHg at 25°C.

Preparation of 2-Bromoindene-1,3-dione: this chemical can be prepared by indan-1,3-dione. This reaction will need reagent NaBr and solvents methanol, acetic acid. The reaction temperature is 25 °C. The yield is about 83%.

2-Bromoindene-1,3-dione can be prepared by indan-1,3-dione

Uses of 2-Bromoindene-1,3-dione: it can be used to produce indan-1,2,3-trione at temperature of 0 - 22 °C. It will need reagents dimetyldioxirane, DMAP and solvent CH2Cl2 with reaction time of 6 hours. The yield is about 80%.

2-Bromoindene-1,3-dione can be used to produce indan-1,2,3-trione

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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: O=C2c1ccccc1C(=O)C2Br
(2)InChI: InChI=1/C9H5BrO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,7H
(3)InChIKey: DJSJIJDUPBUBKX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H5BrO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,7H
(5)Std. InChIKey: DJSJIJDUPBUBKX-UHFFFAOYSA-N