2-Bromo-1H-indene-1,3(2H)-dione

Basic Information

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CAS Number

7319-63-3

Molecular Formula

C9H5BrO2

Molecular Weight

225.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

118-120 °C

Boiling Point

334.9°C at 760 mmHg

SMILES

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C1=CC=C2C(=C1)C(=O)C(C2=O)Br

InChI

InChI=1S/C9H5BrO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,7H

InChIKey

DJSJIJDUPBUBKX-UHFFFAOYSA-N

LogP

1.8291

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

213

Safety Information

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Hazard Statement

Synonyms & References

English

2-Bromoindan-1,3-dione
NSC77090
DTXSID40291677
N12387
SCHEMBL18395286
MFCD00171530
Q15719334
2-Bromo-1,3-indandione, technical, >=90.0% (AT)
CS-0204506
2-Bromo-1,3-indandione
7319-63-3
NSC-77090
FT-0636433
BS-22845
AKOS022177958
2-Bromo-1,3-indanedione
2-bromo-1h-indene-1,3(2h)-dione
2-bromoindene-1,3-dione
2-Bromo-1H-indene-1,3(2H)-dione
2-BROMO-1,3-INDANEDIONE
2-Br-indane-1,3-dione
2-bromo-2-H-indene-1,3-dione
2-bromoindan-1,3-dione
2-Bromoindane-1,3-dione
N-bromosuccinimide

MDL Number

MFCD00171530

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 2-Bromo-1H-indene-1,3(2H)-dione (CAS: 7319-63-3)?

2-Bromo-1H-indene-1,3(2H)-dione (CAS: 7319-63-3) is a crystalline solid with a molecular weight of approximately 226.03 g/mol. It has a melting point of around 125-127°C and is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong nucleophiles under certain conditions. It is a key intermediate in the synthesis of various pharmaceuticals and polymers.

How is 2-Bromo-1H-indene-1,3(2H)-dione (CAS: 7319-63-3) typically synthesized?

2-Bromo-1H-indene-1,3(2H)-dione can be synthesized via the bromination of indene followed by dimerization. Commonly, the bromination is performed using bromine in the presence of a Lewis acid like aluminum bromide. This process requires careful control of reaction conditions to achieve high yield and selectivity. Further steps involve dimerization to form the dione structure.

What industries use 2-Bromo-1H-indene-1,3(2H)-dione (CAS: 7319-63-3)?

2-Bromo-1H-indene-1,3(2H)-dione (CAS: 7319-63-3) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various medicinal compounds and functional polymers. Additionally, it can be used in the manufacturing of sensors and semiconductors, although on a smaller scale compared to its pharmaceutical and polymer applications.

What precautions should be taken when handling 2-Bromo-1H-indene-1,3(2H)-dione (CAS: 7319-63-3)?

When handling 2-Bromo-1H-indene-1,3(2H)-dione (CAS: 7319-63-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.